N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide

C18H17N3O2 — CID 3150564

IUPACN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2cnc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O2/c1-12-6-5-7-14(10-12)20-17(22)13(2)21-11-19-16-9-4-3-8-15(16)18(21)23/h3-11,13H,1-2H3,(H,20,22)
InChIKeyWMXJGAPIVYEWKU-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.90
Rot. Bonds3

About N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide

N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 3150564) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
PubChem CID3150564
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2cnc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O2/c1-12-6-5-7-14(10-12)20-17(22)13(2)21-11-19-16-9-4-3-8-15(16)18(21)23/h3-11,13H,1-2H3,(H,20,22)
InChIKeyWMXJGAPIVYEWKU-UHFFFAOYSA-N
XLogP2.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 71825572
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
2-(4-oxoquinazolin-3-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 75356853
(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632851
(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7596180
N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4871403
ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 71827680

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide (CID 3150564) is N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide is Cc1cccc(NC(=O)C(C)n2cnc3ccccc3c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is WMXJGAPIVYEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-6-5-7-14(10-12)20-17(22)13(2)21-11-19-16-9-4-3-8-15(16)18(21)23/h3-11,13H,1-2H3,(H,20,22).
What are the key properties of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide?
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 3150564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).