N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine

C19H12Cl2N4 — CID 87720726

IUPACN-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(-c4ccc(Cl)nc4)cc23)c1
InChIInChI=1S/C19H12Cl2N4/c20-14-2-1-3-15(9-14)25-19-16-8-12(4-6-17(16)23-11-24-19)13-5-7-18(21)22-10-13/h1-11H,(H,23,24,25)
InChIKeyLAEADTGLILSBCL-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.74
Rot. Bonds3

About N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine

N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine (PubChem CID 87720726) has the molecular formula C19H12Cl2N4 and a molecular weight of 367.24 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine
PubChem CID87720726
Molecular FormulaC19H12Cl2N4
Molecular Weight367.24 g/mol
Exact Mass366.04
IUPAC NameN-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(-c4ccc(Cl)nc4)cc23)c1
InChIInChI=1S/C19H12Cl2N4/c20-14-2-1-3-15(9-14)25-19-16-8-12(4-6-17(16)23-11-24-19)13-5-7-18(21)22-10-13/h1-11H,(H,23,24,25)
InChIKeyLAEADTGLILSBCL-UHFFFAOYSA-N
XLogP5.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736892
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
6-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)quinazolin-4-amine
CID 69169474
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
N,6-diphenylquinazolin-4-amine
CID 86766666
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
CID 11494140
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine (CID 87720726) is N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine is Clc1cccc(Nc2ncnc3ccc(-c4ccc(Cl)nc4)cc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine?
The InChIKey is LAEADTGLILSBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4/c20-14-2-1-3-15(9-14)25-19-16-8-12(4-6-17(16)23-11-24-19)13-5-7-18(21)22-10-13/h1-11H,(H,23,24,25).
What are the key properties of N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine?
N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine has a molecular weight of 367.24 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 87720726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).