2-Phenyl-4-(1-pyrrolidinyl)quinazoline
Basic information
- CAS
442536-98-3- Standard SMILES
c1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1- InChIKey
YUMGURVFGSPTRR-UHFFFAOYSA-N- Molecular formula
- C18H17N3
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.14224756
Names & identifiers
- Preferred name
- 2-Phenyl-4-(1-pyrrolidinyl)quinazoline
- IUPAC
- 2-phenyl-4-pyrrolidin-1-ylquinazoline
Names & synonyms
442536-98-32-phenyl-4-(1-pyrrolidinyl)quinazolineRefChem:478073661-933-22-phenyl-4-(pyrrolidin-1-yl)quinazoline2-phenyl-4-pyrrolidin-1-ylquinazolineOprea1_440842Oprea1_696606SCHEMBL4089260CHEMBL35607092-phenyl-4-pyrrolidinylquinazolineCCG-16541
Show more names
AKOS001629204EBC-611908WAY-320335ST50188747MLS-0472764.0001AF-399/13804064
Database identifiers
- CAS
442536-98-3- PubChem CID
- 719699
- ChEMBL
CHEMBL3560709- EC Number
- 661-933-2
- Nikkaji
- J2.255.931A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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