2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide

C17H15FN4O2 — CID 71700514

IUPAC2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc2ccc(F)cc2c(=O)n1CC(=O)NCc1ccncc1
InChIInChI=1S/C17H15FN4O2/c1-11-21-15-3-2-13(18)8-14(15)17(24)22(11)10-16(23)20-9-12-4-6-19-7-5-12/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyKKFUFYVPBSDXTR-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.56
Rot. Bonds4

About 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 71700514) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID71700514
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc2ccc(F)cc2c(=O)n1CC(=O)NCc1ccncc1
InChIInChI=1S/C17H15FN4O2/c1-11-21-15-3-2-13(18)8-14(15)17(24)22(11)10-16(23)20-9-12-4-6-19-7-5-12/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyKKFUFYVPBSDXTR-UHFFFAOYSA-N
XLogP1.56
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
CID 71703290
N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(1H-indol-6-yl)acetamide
CID 71708222
N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028562
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
CID 1166520
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71709864
N-benzyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429851
ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 145212635
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53201949
N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 71703213
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 71700514) is 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCc1ccncc1.
What is the InChIKey of 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is KKFUFYVPBSDXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11-21-15-3-2-13(18)8-14(15)17(24)22(11)10-16(23)20-9-12-4-6-19-7-5-12/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 326.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 71700514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).