N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C27H21ClN4O — CID 71180526

IUPACN-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(C)c(Cl)c4)c3c2)c1
InChIInChI=1S/C27H21ClN4O/c1-17-8-10-21(15-24(17)28)30-27-23-14-19(18-5-3-7-22(13-18)33-2)9-11-25(23)31-26(32-27)20-6-4-12-29-16-20/h3-16H,1-2H3,(H,30,31,32)
InChIKeyIHEYHPOTUHZZER-UHFFFAOYSA-N
MW452.95 g/mol
LogP7.07
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180526) has the molecular formula C27H21ClN4O and a molecular weight of 452.95 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180526
Molecular FormulaC27H21ClN4O
Molecular Weight452.95 g/mol
Exact Mass452.14
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(C)c(Cl)c4)c3c2)c1
InChIInChI=1S/C27H21ClN4O/c1-17-8-10-21(15-24(17)28)30-27-23-14-19(18-5-3-7-22(13-18)33-2)9-11-25(23)31-26(32-27)20-6-4-12-29-16-20/h3-16H,1-2H3,(H,30,31,32)
InChIKeyIHEYHPOTUHZZER-UHFFFAOYSA-N
XLogP7.07
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180526) is N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(C)c(Cl)c4)c3c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is IHEYHPOTUHZZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O/c1-17-8-10-21(15-24(17)28)30-27-23-14-19(18-5-3-7-22(13-18)33-2)9-11-25(23)31-26(32-27)20-6-4-12-29-16-20/h3-16H,1-2H3,(H,30,31,32).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 452.95 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).