N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C18H16BrN3O2 — CID 135767361

IUPACN-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCc1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-11-10-12(6-7-14(11)19)20-17(23)9-8-16-21-15-5-3-2-4-13(15)18(24)22-16/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHXGOHNGGNLUTOY-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.57
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135767361) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135767361
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCc1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-11-10-12(6-7-14(11)19)20-17(23)9-8-16-21-15-5-3-2-4-13(15)18(24)22-16/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHXGOHNGGNLUTOY-UHFFFAOYSA-N
XLogP3.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137278194
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135582650
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767542
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
[2-(3-bromoanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135510202
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135767361) is N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is Cc1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is HXGOHNGGNLUTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11-10-12(6-7-14(11)19)20-17(23)9-8-16-21-15-5-3-2-4-13(15)18(24)22-16/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 386.25 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135767361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).