N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C18H16BrN3O2 — CID 2974265

IUPACN-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3ccccc3c2=O)ccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-12-10-13(6-7-15(12)19)21-17(23)8-9-22-11-20-16-5-3-2-4-14(16)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyYUUMXRVXLKYNGE-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.50
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 2974265) 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-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID2974265
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3ccccc3c2=O)ccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-12-10-13(6-7-15(12)19)21-17(23)8-9-22-11-20-16-5-3-2-4-14(16)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyYUUMXRVXLKYNGE-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
CID 55705897
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 2974265) is N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1cc(NC(=O)CCn2cnc3ccccc3c2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is YUUMXRVXLKYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-10-13(6-7-15(12)19)21-17(23)8-9-22-11-20-16-5-3-2-4-14(16)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 386.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 2974265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).