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

C22H23BrClN3O2 — CID 42713910

IUPAC4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc(Br)cc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C22H23BrClN3O2/c1-4-5-12-27(21(28)15-6-8-16(23)9-7-15)14(2)20-25-19-11-10-17(24)13-18(19)22(29)26(20)3/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeyLRLHLZPFKBEQRS-UHFFFAOYSA-N
MW476.80 g/mol
LogP5.35
Rot. Bonds6

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

4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide (PubChem CID 42713910) has the molecular formula C22H23BrClN3O2 and a molecular weight of 476.80 g/mol. Its IUPAC name is 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
PubChem CID42713910
Molecular FormulaC22H23BrClN3O2
Molecular Weight476.80 g/mol
Exact Mass475.07
IUPAC Name4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc(Br)cc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C22H23BrClN3O2/c1-4-5-12-27(21(28)15-6-8-16(23)9-7-15)14(2)20-25-19-11-10-17(24)13-18(19)22(29)26(20)3/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeyLRLHLZPFKBEQRS-UHFFFAOYSA-N
XLogP5.35
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.80
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-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

N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
CID 42713947
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164
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-propylbutanamide
CID 42713927
3-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42728275
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-butylbenzamide
CID 42715950
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 42714182
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
CID 42728218
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide (CID 42713910) is 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide is CCCCN(C(=O)c1ccc(Br)cc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The InChIKey is LRLHLZPFKBEQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrClN3O2/c1-4-5-12-27(21(28)15-6-8-16(23)9-7-15)14(2)20-25-19-11-10-17(24)13-18(19)22(29)26(20)3/h6-11,13-14H,4-5,12H2,1-3H3.
What are the key properties of 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide has a molecular weight of 476.80 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 42713910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).