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1-(2-Chloro-7-methylquinazolin-4-yl)pyrrolidin-3-amine

HCID 72554490
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc2c(N3CCC(N)C3)nc(Cl)nc2c1
InChIKey
FMYIPXIPSVPQQI-UHFFFAOYSA-N
Molecular formula
C13H15ClN4
Average molar mass
262.74 g/mol

Names & identifiers

Preferred name
1-(2-Chloro-7-methylquinazolin-4-yl)pyrrolidin-3-amine
IUPAC
1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-3-amine

Names & synonyms

SCHEMBL183907

Database identifiers

PubChem CID
72554490

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
55 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
301

Related reactions

3 records
New reaction record
HRID 121756 reaction equation
HRID 121756As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 318485 reaction equation
HRID 318485As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 823019 reaction equation
HRID 823019As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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