2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide

C17H15FN4O2 — CID 1166520

IUPAC2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1nc2ccc(N)cc2c(=O)n1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O2/c1-10-20-15-7-4-12(19)8-14(15)17(24)22(10)9-16(23)21-13-5-2-11(18)3-6-13/h2-8H,9,19H2,1H3,(H,21,23)
InChIKeyMPRCAXLSPKFOCH-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.06
Rot. Bonds3

About 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide

2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 1166520) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID1166520
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1nc2ccc(N)cc2c(=O)n1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O2/c1-10-20-15-7-4-12(19)8-14(15)17(24)22(10)9-16(23)21-13-5-2-11(18)3-6-13/h2-8H,9,19H2,1H3,(H,21,23)
InChIKeyMPRCAXLSPKFOCH-UHFFFAOYSA-N
XLogP2.06
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(1H-indol-6-yl)acetamide
CID 71708222
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 71700514
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
CID 71703290
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide
CID 71701504
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71709864
N-(4-fluorophenyl)-2-(4-methyl-6-oxo-11-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50833362
N-(4-fluorophenyl)-2-(4-methyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50834023
ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238783
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide (CID 1166520) is 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide is Cc1nc2ccc(N)cc2c(=O)n1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is MPRCAXLSPKFOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-10-20-15-7-4-12(19)8-14(15)17(24)22(10)9-16(23)21-13-5-2-11(18)3-6-13/h2-8H,9,19H2,1H3,(H,21,23).
What are the key properties of 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide?
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 326.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1166520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).