N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine

C21H17ClN4 — CID 172698889

IUPACN-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
SMILESCc1ncccc1-c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H17ClN4/c1-14-17(6-4-12-23-14)21-25-19-7-3-2-5-18(19)20(26-21)24-13-15-8-10-16(22)11-9-15/h2-12H,13H2,1H3,(H,24,25,26)
InChIKeyCRSCZPBKULHSHI-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.27
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine

N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine (PubChem CID 172698889) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
PubChem CID172698889
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
SMILESCc1ncccc1-c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H17ClN4/c1-14-17(6-4-12-23-14)21-25-19-7-3-2-5-18(19)20(26-21)24-13-15-8-10-16(22)11-9-15/h2-12H,13H2,1H3,(H,24,25,26)
InChIKeyCRSCZPBKULHSHI-UHFFFAOYSA-N
XLogP5.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine (CID 172698889) is N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine is Cc1ncccc1-c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine?
The InChIKey is CRSCZPBKULHSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-14-17(6-4-12-23-14)21-25-19-7-3-2-5-18(19)20(26-21)24-13-15-8-10-16(22)11-9-15/h2-12H,13H2,1H3,(H,24,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine?
N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine has a molecular weight of 360.85 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 172698889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).