N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide

C25H30ClN3O2 — CID 42720398

IUPACN-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C25H30ClN3O2/c1-5-7-15-28(24(30)17(3)4)22(6-2)23-27-21-14-9-8-13-20(21)25(31)29(23)19-12-10-11-18(26)16-19/h8-14,16-17,22H,5-7,15H2,1-4H3
InChIKeyFLJSVQMXIOBHDS-UHFFFAOYSA-N
MW439.99 g/mol
LogP5.77
Rot. Bonds8

About N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide

N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide (PubChem CID 42720398) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
PubChem CID42720398
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC NameN-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C25H30ClN3O2/c1-5-7-15-28(24(30)17(3)4)22(6-2)23-27-21-14-9-8-13-20(21)25(31)29(23)19-12-10-11-18(26)16-19/h8-14,16-17,22H,5-7,15H2,1-4H3
InChIKeyFLJSVQMXIOBHDS-UHFFFAOYSA-N
XLogP5.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.99
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide 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-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403
N-butyl-N-[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methoxybenzamide
CID 92514732
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]-3-methyl-N-(3-methylbutyl)butanamide
CID 42721102
3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
3-bromo-N-butyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716312
N-butyl-N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]nonanamide
CID 42721209
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42718667
N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719199

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide?
The IUPAC name of N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide (CID 42720398) is N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide.
What is the SMILES notation for N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide?
The canonical SMILES for N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide is CCCCN(C(=O)C(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide?
The InChIKey is FLJSVQMXIOBHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-5-7-15-28(24(30)17(3)4)22(6-2)23-27-21-14-9-8-13-20(21)25(31)29(23)19-12-10-11-18(26)16-19/h8-14,16-17,22H,5-7,15H2,1-4H3.
What are the key properties of N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide?
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide has a molecular weight of 439.99 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide is sourced from PubChem (CID 42720398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).