2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine

C20H15ClN4 — CID 10154692

IUPAC2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESClc1ccc(-c2nc(NCc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15ClN4/c21-16-7-5-15(6-8-16)19-24-18-4-2-1-3-17(18)20(25-19)23-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,24,25)
InChIKeyBSQSLGIPIKNVSA-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.96
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine

2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine (PubChem CID 10154692) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
PubChem CID10154692
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESClc1ccc(-c2nc(NCc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15ClN4/c21-16-7-5-15(6-8-16)19-24-18-4-2-1-3-17(18)20(25-19)23-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,24,25)
InChIKeyBSQSLGIPIKNVSA-UHFFFAOYSA-N
XLogP4.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
CID 172698889
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 4880961
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine (CID 10154692) is 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine is Clc1ccc(-c2nc(NCc3ccncc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The InChIKey is BSQSLGIPIKNVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-16-7-5-15(6-8-16)19-24-18-4-2-1-3-17(18)20(25-19)23-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,24,25).
What are the key properties of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine has a molecular weight of 346.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 10154692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).