N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide

C25H24ClN3O6 — CID 18887181

IUPACN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24ClN3O6/c1-32-17-8-5-14(6-9-17)23-27-19-10-7-16(26)13-18(19)25(31)29(23)28-24(30)15-11-20(33-2)22(35-4)21(12-15)34-3/h5-13,23,27H,1-4H3,(H,28,30)
InChIKeyYTZOGOHKORSTSE-UHFFFAOYSA-N
MW497.94 g/mol
LogP4.29
Rot. Bonds7

About N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide

N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 18887181) has the molecular formula C25H24ClN3O6 and a molecular weight of 497.94 g/mol. Its IUPAC name is N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID18887181
Molecular FormulaC25H24ClN3O6
Molecular Weight497.94 g/mol
Exact Mass497.14
IUPAC NameN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24ClN3O6/c1-32-17-8-5-14(6-9-17)23-27-19-10-7-16(26)13-18(19)25(31)29(23)28-24(30)15-11-20(33-2)22(35-4)21(12-15)34-3/h5-13,23,27H,1-4H3,(H,28,30)
InChIKeyYTZOGOHKORSTSE-UHFFFAOYSA-N
XLogP4.29
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.94
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide 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-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide
CID 18887265
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887057
4-bromo-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 18887263
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
N-(6-chloro-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide
CID 18887308
4-bromo-N-[6-chloro-2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 18886973
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
CID 18886863
N-[(2S)-2-(2-bromo-5-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 1010260
2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18887275
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887151
N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 3487606
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887147

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide (CID 18887181) is N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide is COc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is YTZOGOHKORSTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O6/c1-32-17-8-5-14(6-9-17)23-27-19-10-7-16(26)13-18(19)25(31)29(23)28-24(30)15-11-20(33-2)22(35-4)21(12-15)34-3/h5-13,23,27H,1-4H3,(H,28,30).
What are the key properties of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide?
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 497.94 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 18887181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).