N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide

C23H26ClN3O2 — CID 42711164

IUPACN-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
SMILESCCCCN(C(=O)Cc1ccccc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C23H26ClN3O2/c1-4-5-13-27(21(28)14-17-9-7-6-8-10-17)16(2)22-25-20-12-11-18(24)15-19(20)23(29)26(22)3/h6-12,15-16H,4-5,13-14H2,1-3H3
InChIKeyJKTUSXGYJJXZLZ-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.52
Rot. Bonds7

About N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide

N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide (PubChem CID 42711164) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
PubChem CID42711164
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
SMILESCCCCN(C(=O)Cc1ccccc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C23H26ClN3O2/c1-4-5-13-27(21(28)14-17-9-7-6-8-10-17)16(2)22-25-20-12-11-18(24)15-19(20)23(29)26(22)3/h6-12,15-16H,4-5,13-14H2,1-3H3
InChIKeyJKTUSXGYJJXZLZ-UHFFFAOYSA-N
XLogP4.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide 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-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]cyclopentanecarboxamide
CID 42713909
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42717045
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
CID 42713947
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide (CID 42711164) is N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide is CCCCN(C(=O)Cc1ccccc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is JKTUSXGYJJXZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-4-5-13-27(21(28)14-17-9-7-6-8-10-17)16(2)22-25-20-12-11-18(24)15-19(20)23(29)26(22)3/h6-12,15-16H,4-5,13-14H2,1-3H3.
What are the key properties of N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide?
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 411.93 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 42711164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).