N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C27H21ClN4O2 — CID 71180610

IUPACN-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cc(Cl)ccc4OC)c3c2)c1
InChIInChI=1S/C27H21ClN4O2/c1-33-21-7-3-5-17(13-21)18-8-10-23-22(14-18)27(31-24-15-20(28)9-11-25(24)34-2)32-26(30-23)19-6-4-12-29-16-19/h3-16H,1-2H3,(H,30,31,32)
InChIKeyCPOSVBCPUZFQHS-UHFFFAOYSA-N
MW468.94 g/mol
LogP6.77
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180610) has the molecular formula C27H21ClN4O2 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180610
Molecular FormulaC27H21ClN4O2
Molecular Weight468.94 g/mol
Exact Mass468.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cc(Cl)ccc4OC)c3c2)c1
InChIInChI=1S/C27H21ClN4O2/c1-33-21-7-3-5-17(13-21)18-8-10-23-22(14-18)27(31-24-15-20(28)9-11-25(24)34-2)32-26(30-23)19-6-4-12-29-16-19/h3-16H,1-2H3,(H,30,31,32)
InChIKeyCPOSVBCPUZFQHS-UHFFFAOYSA-N
XLogP6.77
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180610) is N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cc(Cl)ccc4OC)c3c2)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is CPOSVBCPUZFQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O2/c1-33-21-7-3-5-17(13-21)18-8-10-23-22(14-18)27(31-24-15-20(28)9-11-25(24)34-2)32-26(30-23)19-6-4-12-29-16-19/h3-16H,1-2H3,(H,30,31,32).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 468.94 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).