7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one

C23H21ClN4O2 — CID 134132173

IUPAC7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one
SMILESCOc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)nc2)cc1
InChIInChI=1S/C23H21ClN4O2/c1-28-22(29)20-10-6-17(24)13-21(20)27-23(28)25-12-11-18-7-3-16(14-26-18)15-4-8-19(30-2)9-5-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)
InChIKeyNYLBGZNMXFQQEF-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.31
Rot. Bonds6

About 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one

7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one (PubChem CID 134132173) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one
PubChem CID134132173
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one
SMILESCOc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)nc2)cc1
InChIInChI=1S/C23H21ClN4O2/c1-28-22(29)20-10-6-17(24)13-21(20)27-23(28)25-12-11-18-7-3-16(14-26-18)15-4-8-19(30-2)9-5-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)
InChIKeyNYLBGZNMXFQQEF-UHFFFAOYSA-N
XLogP4.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one 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 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one (CID 134132173) is 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one is COc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)nc2)cc1.
What is the InChIKey of 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one?
The InChIKey is NYLBGZNMXFQQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-28-22(29)20-10-6-17(24)13-21(20)27-23(28)25-12-11-18-7-3-16(14-26-18)15-4-8-19(30-2)9-5-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,27).
What are the key properties of 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one?
7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one has a molecular weight of 420.90 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethylamino]-3-methylquinazolin-4-one is sourced from PubChem (CID 134132173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).