7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one

C17H9BrCl2N4O2 — CID 152714997

IUPAC7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one
SMILESO=c1nc(Nc2cnoc2)c2cc(Cl)c(Br)cc2n1-c1ccccc1Cl
InChIInChI=1S/C17H9BrCl2N4O2/c18-11-6-15-10(5-13(11)20)16(22-9-7-21-26-8-9)23-17(25)24(15)14-4-2-1-3-12(14)19/h1-8H,(H,22,23,25)
InChIKeyZUKICUZVEINYDB-UHFFFAOYSA-N
MW452.10 g/mol
LogP5.19
Rot. Bonds3

About 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one

7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one (PubChem CID 152714997) has the molecular formula C17H9BrCl2N4O2 and a molecular weight of 452.10 g/mol. Its IUPAC name is 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one
PubChem CID152714997
Molecular FormulaC17H9BrCl2N4O2
Molecular Weight452.10 g/mol
Exact Mass449.93
IUPAC Name7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one
SMILESO=c1nc(Nc2cnoc2)c2cc(Cl)c(Br)cc2n1-c1ccccc1Cl
InChIInChI=1S/C17H9BrCl2N4O2/c18-11-6-15-10(5-13(11)20)16(22-9-7-21-26-8-9)23-17(25)24(15)14-4-2-1-3-12(14)19/h1-8H,(H,22,23,25)
InChIKeyZUKICUZVEINYDB-UHFFFAOYSA-N
XLogP5.19
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.10
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one 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

7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one
CID 151034532
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
CID 159860748
6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
CID 150054326
7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 161031638
1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one
CID 175958943
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
CID 148724212
7-bromo-6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]quinazolin-2-one
CID 146235124
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(1-fluoroethyl)quinazolin-2-one;hydrofluoride
CID 160669496
4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one
CID 147238184
4-[(2R)-2-aminobut-3-ynyl]-1-(2-chlorophenyl)-7-cyclopropylquinazolin-2-one
CID 175429137
6-bromo-3-(2-chlorophenyl)-2-hydrazinylquinazolin-4-one
CID 13357174
6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one
CID 157209085

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one?
The IUPAC name of 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one (CID 152714997) is 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one.
What is the SMILES notation for 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one?
The canonical SMILES for 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one is O=c1nc(Nc2cnoc2)c2cc(Cl)c(Br)cc2n1-c1ccccc1Cl.
What is the InChIKey of 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one?
The InChIKey is ZUKICUZVEINYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrCl2N4O2/c18-11-6-15-10(5-13(11)20)16(22-9-7-21-26-8-9)23-17(25)24(15)14-4-2-1-3-12(14)19/h1-8H,(H,22,23,25).
What are the key properties of 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one?
7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one has a molecular weight of 452.10 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one is sourced from PubChem (CID 152714997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).