2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide

C17H14FN3O2 — CID 40743532

IUPAC2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C17H14FN3O2/c1-11-2-5-13(6-3-11)20-16(22)9-21-10-19-15-8-12(18)4-7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyMOPFEWTXIYSSDU-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.48
Rot. Bonds3

About 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide (PubChem CID 40743532) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
PubChem CID40743532
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C17H14FN3O2/c1-11-2-5-13(6-3-11)20-16(22)9-21-10-19-15-8-12(18)4-7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyMOPFEWTXIYSSDU-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 27190120
2-(7-chloro-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18227093
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 27075653
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
N-(2-ethylphenyl)-2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 40750672
7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
CID 47088424
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide (CID 40743532) is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1.
What is the InChIKey of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is MOPFEWTXIYSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-2-5-13(6-3-11)20-16(22)9-21-10-19-15-8-12(18)4-7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide?
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 40743532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).