N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide

C17H14FN3O2 — CID 110294904

IUPACN-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2/c1-11(22)19-10-16-20-15-5-3-2-4-14(15)17(23)21(16)13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyMQKJZGCMSIDYHA-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.16
Rot. Bonds3

About N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide

N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide (PubChem CID 110294904) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
PubChem CID110294904
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2/c1-11(22)19-10-16-20-15-5-3-2-4-14(15)17(23)21(16)13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyMQKJZGCMSIDYHA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate
CID 24807791
1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea
CID 110294926
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488
2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 122540146
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
(2S)-N-(ethylcarbamoyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2638342
[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 1,3,5-trimethylpyrazole-4-carboxylate
CID 18131033
2-ethyl-3-phenylquinazolin-4-one
CID 719985
[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 1-acetylpyrrolidine-2-carboxylate
CID 42922268
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2121008
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide (CID 110294904) is N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide is CC(=O)NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide?
The InChIKey is MQKJZGCMSIDYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11(22)19-10-16-20-15-5-3-2-4-14(15)17(23)21(16)13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide?
N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide is sourced from PubChem (CID 110294904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).