3-Methyl-2-phenylquinoline

HCID 1482014

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 101063-69-8
Standard SMILES: Cc1cc2ccccc2nc1-c1ccccc1
InChIKey: BUYMQKLWDAVPNE-UHFFFAOYSA-N
Molecular formula: C16H13N
Average molar mass: 219.28 g/mol
Monoisotopic mass: 219.10479942

Names & identifiers

Preferred name: 3-Methyl-2-phenylquinoline
IUPAC: 3-methyl-2-phenylquinoline

Names & synonyms

3-methyl-2-phenylquinoline101063-69-8RefChem:280812DTXCID80314293DTXSID803632465278-43-3Quinoline, methylphenyl-2-phenyl-3-methylquinoline3-Methyl-2-phenyl-quinolineCHEMBL2335127MFCD03617609Bionet2_001219

Show more names

SCHEMBL2125225SCHEMBL53220622-(phenyl)-3-methyl-quinolineBUYMQKLWDAVPNE-UHFFFAOYSA-NHMS1367H09BDBM50430816AKOS005079348EBC-290049

Database identifiers

CAS: 101063-69-8
PubChem CID: 1482014
DTXSID: DTXSID80363246
ChEMBL: CHEMBL2335127
Nikkaji: J774.055G

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 244

Related reactions

4 records

New reaction record

HRID 957560As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1148711As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1795726As productuspto-grants-2006_04

HRID 2308154As productuspto-grants-2004_12

Compound notes

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