N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C28H26Cl3N3O2 — CID 4553731

IUPACN-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C
InChIInChI=1S/C28H26Cl3N3O2/c1-4-5-14-33(27(35)21-12-10-20(30)16-23(21)31)18(3)26-32-24-9-7-6-8-22(24)28(36)34(26)25-13-11-19(29)15-17(25)2/h6-13,15-16,18H,4-5,14H2,1-3H3
InChIKeyFOLBRCTYJRJHOX-UHFFFAOYSA-N
MW542.89 g/mol
LogP7.66
Rot. Bonds7

About N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 4553731) has the molecular formula C28H26Cl3N3O2 and a molecular weight of 542.89 g/mol. Its IUPAC name is N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID4553731
Molecular FormulaC28H26Cl3N3O2
Molecular Weight542.89 g/mol
Exact Mass541.11
IUPAC NameN-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C
InChIInChI=1S/C28H26Cl3N3O2/c1-4-5-14-33(27(35)21-12-10-20(30)16-23(21)31)18(3)26-32-24-9-7-6-8-22(24)28(36)34(26)25-13-11-19(29)15-17(25)2/h6-13,15-16,18H,4-5,14H2,1-3H3
InChIKeyFOLBRCTYJRJHOX-UHFFFAOYSA-N
XLogP7.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.89
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]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

4-chloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 4032184
2,4-dichloro-N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5197120
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide
CID 42717446
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42716809
N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5149608
2,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723385
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
4-bromo-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 3894886
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
N-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42719994
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42720531

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 4553731) is N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is CCCCN(C(=O)c1ccc(Cl)cc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C.
What is the InChIKey of N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is FOLBRCTYJRJHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl3N3O2/c1-4-5-14-33(27(35)21-12-10-20(30)16-23(21)31)18(3)26-32-24-9-7-6-8-22(24)28(36)34(26)25-13-11-19(29)15-17(25)2/h6-13,15-16,18H,4-5,14H2,1-3H3.
What are the key properties of N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 542.89 g/mol, XLogP of 7.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 4553731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).