3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one

C19H15FN2O2 — CID 40743890

IUPAC3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H15FN2O2/c20-15-6-7-16-17(9-15)21-11-22(19(16)24)10-18(23)14-5-4-12-2-1-3-13(12)8-14/h4-9,11H,1-3,10H2
InChIKeyURMKWLUNCBBYNO-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.91
Rot. Bonds3

About 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one

3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one (PubChem CID 40743890) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one
PubChem CID40743890
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H15FN2O2/c20-15-6-7-16-17(9-15)21-11-22(19(16)24)10-18(23)14-5-4-12-2-1-3-13(12)8-14/h4-9,11H,1-3,10H2
InChIKeyURMKWLUNCBBYNO-UHFFFAOYSA-N
XLogP2.91
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one
CID 40743944
6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one
CID 7875352
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 92799410
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743883
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
CID 47088424
3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663
7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 51259521
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one (CID 40743890) is 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one is O=C(Cn1cnc2cc(F)ccc2c1=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The InChIKey is URMKWLUNCBBYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-15-6-7-16-17(9-15)21-11-22(19(16)24)10-18(23)14-5-4-12-2-1-3-13(12)8-14/h4-9,11H,1-3,10H2.
What are the key properties of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one has a molecular weight of 322.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 40743890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).