2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide

C15H16BrN3O2 — CID 78961116

IUPAC2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc2cc(Br)ccc2c1=O)C1CC1
InChIInChI=1S/C15H16BrN3O2/c1-2-19(11-4-5-11)14(20)8-18-9-17-13-7-10(16)3-6-12(13)15(18)21/h3,6-7,9,11H,2,4-5,8H2,1H3
InChIKeyZMEYPKAZADCWIT-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.17
Rot. Bonds4

About 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide

2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 78961116) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID78961116
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc2cc(Br)ccc2c1=O)C1CC1
InChIInChI=1S/C15H16BrN3O2/c1-2-19(11-4-5-11)14(20)8-18-9-17-13-7-10(16)3-6-12(13)15(18)21/h3,6-7,9,11H,2,4-5,8H2,1H3
InChIKeyZMEYPKAZADCWIT-UHFFFAOYSA-N
XLogP2.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide 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

3-(3-Bromo-phenyl)-3H-quinazolin-4-one
CID 775093
2-[(E)-2-(4-bromophenyl)vinyl]-3-methylquinazolin-4(3H)-one
CID 5344732
7-bromo-2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574241
4(3H)-Quinazolinone, 3-acetonyl-
CID 64022
7-Bromo-3,4-dihydroquinazolin-4-one
CID 135555612
3-[2-(4-Bromophenyl)-2-oxoethyl]quinazolin-4-one
CID 738367
N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286174
4-bromo-N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135417641
6-Bromo-3-ethylquinazolin-4-one
CID 40557773
6-Bromo-3-propylquinazolin-4-one
CID 42893846
6-Bromo-3-methyl-3,4-dihydroquinazolin-4-one
CID 4216977
N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135490258

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide (CID 78961116) is 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)Cn1cnc2cc(Br)ccc2c1=O)C1CC1.
What is the InChIKey of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is ZMEYPKAZADCWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-2-19(11-4-5-11)14(20)8-18-9-17-13-7-10(16)3-6-12(13)15(18)21/h3,6-7,9,11H,2,4-5,8H2,1H3.
What are the key properties of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide?
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 350.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 78961116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).