N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide

C27H34ClN3O2 — CID 42721102

IUPACN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CCC(C)C)C(=O)CC(C)C
InChIInChI=1S/C27H34ClN3O2/c1-6-24(30(15-14-18(2)3)25(32)16-19(4)5)26-29-23-13-8-7-12-22(23)27(33)31(26)21-11-9-10-20(28)17-21/h7-13,17-19,24H,6,14-16H2,1-5H3
InChIKeyXLHDLKXQGWGBJG-UHFFFAOYSA-N
MW468.04 g/mol
LogP6.41
Rot. Bonds9

About N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide

N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide (PubChem CID 42721102) has the molecular formula C27H34ClN3O2 and a molecular weight of 468.04 g/mol. Its IUPAC name is N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound NameN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
PubChem CID42721102
Molecular FormulaC27H34ClN3O2
Molecular Weight468.04 g/mol
Exact Mass467.23
IUPAC NameN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CCC(C)C)C(=O)CC(C)C
InChIInChI=1S/C27H34ClN3O2/c1-6-24(30(15-14-18(2)3)25(32)16-19(4)5)26-29-23-13-8-7-12-22(23)27(33)31(26)21-11-9-10-20(28)17-21/h7-13,17-19,24H,6,14-16H2,1-5H3
InChIKeyXLHDLKXQGWGBJG-UHFFFAOYSA-N
XLogP6.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.04
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide 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-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454
N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719199
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42720398
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42728662
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207
N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719114
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 42721247
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide
CID 5186912
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide (CID 42721102) is N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide is CCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CCC(C)C)C(=O)CC(C)C.
What is the InChIKey of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is XLHDLKXQGWGBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O2/c1-6-24(30(15-14-18(2)3)25(32)16-19(4)5)26-29-23-13-8-7-12-22(23)27(33)31(26)21-11-9-10-20(28)17-21/h7-13,17-19,24H,6,14-16H2,1-5H3.
What are the key properties of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide?
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 468.04 g/mol, XLogP of 6.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 42721102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).