7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one

C21H20FN3O2 — CID 166364007

IUPAC7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1ccccc1C1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCN1
InChIInChI=1S/C21H20FN3O2/c1-13-4-2-3-5-15(13)19-12-25(9-8-23-19)21(27)17-11-20(26)24-18-10-14(22)6-7-16(17)18/h2-7,10-11,19,23H,8-9,12H2,1H3,(H,24,26)
InChIKeyRRSAKFFZVPLOJD-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.76
Rot. Bonds2

About 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one

7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 166364007) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID166364007
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1ccccc1C1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCN1
InChIInChI=1S/C21H20FN3O2/c1-13-4-2-3-5-15(13)19-12-25(9-8-23-19)21(27)17-11-20(26)24-18-10-14(22)6-7-16(17)18/h2-7,10-11,19,23H,8-9,12H2,1H3,(H,24,26)
InChIKeyRRSAKFFZVPLOJD-UHFFFAOYSA-N
XLogP2.76
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 119415623
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 95716840
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154868364
4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 166298556
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
(3R,4S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135090205
3-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-cinnolin-4-one;2,2,2-trifluoroacetic acid
CID 166250170
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71930254
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one (CID 166364007) is 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one is Cc1ccccc1C1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCN1.
What is the InChIKey of 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is RRSAKFFZVPLOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13-4-2-3-5-15(13)19-12-25(9-8-23-19)21(27)17-11-20(26)24-18-10-14(22)6-7-16(17)18/h2-7,10-11,19,23H,8-9,12H2,1H3,(H,24,26).
What are the key properties of 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 365.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 166364007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).