2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide

C17H14BrF2N3O2 — CID 171496973

IUPAC2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide
SMILESO=C(CN1Cc2c(Br)cccc2NC1=O)NCc1ccc(F)cc1F
InChIInChI=1S/C17H14BrF2N3O2/c18-13-2-1-3-15-12(13)8-23(17(25)22-15)9-16(24)21-7-10-4-5-11(19)6-14(10)20/h1-6H,7-9H2,(H,21,24)(H,22,25)
InChIKeyYBENUAXICZYTED-UHFFFAOYSA-N
MW410.22 g/mol
LogP3.39
Rot. Bonds4

About 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide

2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide (PubChem CID 171496973) has the molecular formula C17H14BrF2N3O2 and a molecular weight of 410.22 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide
PubChem CID171496973
Molecular FormulaC17H14BrF2N3O2
Molecular Weight410.22 g/mol
Exact Mass409.02
IUPAC Name2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide
SMILESO=C(CN1Cc2c(Br)cccc2NC1=O)NCc1ccc(F)cc1F
InChIInChI=1S/C17H14BrF2N3O2/c18-13-2-1-3-15-12(13)8-23(17(25)22-15)9-16(24)21-7-10-4-5-11(19)6-14(10)20/h1-6H,7-9H2,(H,21,24)(H,22,25)
InChIKeyYBENUAXICZYTED-UHFFFAOYSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide 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

2-(5-Bromo-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamide
CID 10086145
N-(3-bromophenyl)-N'-{[1-(2-fluorobenzyl)piperidin-4-yl]methyl}urea
CID 22430489
4-[(3-bromo-4-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11661127
N-benzyl-2-(3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetamide
CID 1503589
4-[(2-bromophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11660768
5-Bromo-3,4-dihydro-3-methylquinazolin-2(1H)-one
CID 18444524
5-Bromo-3,4-dihydroquinazolin-2(1H)-one
CID 68918301
1-(3-Bromo-2-methylphenyl)dihydropyrimidine-2,4(1H,3H)-dione
CID 107640380
N-{2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}-3-hydroxyquinoxaline-1(2H)-carboxamide
CID 17582418
1-(4-Bromo-2-fluorophenyl)-3-[2-(1,2,3,4-tetrahydroquinolin-1-YL)ethyl]urea
CID 22430434
N1-(3-Bromophenyl)-N3-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 53117323
1-[1-[(2-Bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 1450122

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide (CID 171496973) is 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide is O=C(CN1Cc2c(Br)cccc2NC1=O)NCc1ccc(F)cc1F.
What is the InChIKey of 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide?
The InChIKey is YBENUAXICZYTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2N3O2/c18-13-2-1-3-15-12(13)8-23(17(25)22-15)9-16(24)21-7-10-4-5-11(19)6-14(10)20/h1-6H,7-9H2,(H,21,24)(H,22,25).
What are the key properties of 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide?
2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide has a molecular weight of 410.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2,4-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 171496973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).