N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C29H31N3O3 — CID 42723044

IUPACN,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCc1ccc(C(=O)N(CC)C(CC)c2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1
InChIInChI=1S/C29H31N3O3/c1-5-20-16-18-21(19-17-20)28(33)31(7-3)24(6-2)27-30-23-13-9-8-12-22(23)29(34)32(27)25-14-10-11-15-26(25)35-4/h8-19,24H,5-7H2,1-4H3
InChIKeyXFBFMEYYATXUES-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.57
Rot. Bonds8

About N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42723044) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
PubChem CID42723044
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCc1ccc(C(=O)N(CC)C(CC)c2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1
InChIInChI=1S/C29H31N3O3/c1-5-20-16-18-21(19-17-20)28(33)31(7-3)24(6-2)27-30-23-13-9-8-12-22(23)29(34)32(27)25-14-10-11-15-26(25)35-4/h8-19,24H,5-7H2,1-4H3
InChIKeyXFBFMEYYATXUES-UHFFFAOYSA-N
XLogP5.57
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide 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-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723018
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
CID 42723052
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723520
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide
CID 42722999
3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42723057
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4004381
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42723060
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
3-(4-chlorophenyl)-1-ethyl-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42722815
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide
CID 4695441

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The IUPAC name of N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42723044) is N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.
What is the SMILES notation for N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The canonical SMILES for N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCc1ccc(C(=O)N(CC)C(CC)c2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1.
What is the InChIKey of N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The InChIKey is XFBFMEYYATXUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-5-20-16-18-21(19-17-20)28(33)31(7-3)24(6-2)27-30-23-13-9-8-12-22(23)29(34)32(27)25-14-10-11-15-26(25)35-4/h8-19,24H,5-7H2,1-4H3.
What are the key properties of N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 469.59 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42723044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).