7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one

C19H22FN3O2 — CID 95716840

IUPAC7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCC[C@H](N2CCCC2)C1
InChIInChI=1S/C19H22FN3O2/c20-13-5-6-15-16(11-18(24)21-17(15)10-13)19(25)23-9-3-4-14(12-23)22-7-1-2-8-22/h5-6,10-11,14H,1-4,7-9,12H2,(H,21,24)/t14-/m0/s1
InChIKeyFWEQRSVWWBNGCO-AWEZNQCLSA-N
MW343.40 g/mol
LogP2.37
Rot. Bonds2

About 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one

7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 95716840) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID95716840
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCC[C@H](N2CCCC2)C1
InChIInChI=1S/C19H22FN3O2/c20-13-5-6-15-16(11-18(24)21-17(15)10-13)19(25)23-9-3-4-14(12-23)22-7-1-2-8-22/h5-6,10-11,14H,1-4,7-9,12H2,(H,21,24)/t14-/m0/s1
InChIKeyFWEQRSVWWBNGCO-AWEZNQCLSA-N
XLogP2.37
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one with MolForge

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Related Compounds

(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154868364
4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 119415623
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,4-difluorophenyl)methanone
CID 45147487
N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131941647
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 166364007
(3R,4S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135090205

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one (CID 95716840) is 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCC[C@H](N2CCCC2)C1.
What is the InChIKey of 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is FWEQRSVWWBNGCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-13-5-6-15-16(11-18(24)21-17(15)10-13)19(25)23-9-3-4-14(12-23)22-7-1-2-8-22/h5-6,10-11,14H,1-4,7-9,12H2,(H,21,24)/t14-/m0/s1.
What are the key properties of 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one?
7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 343.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 95716840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).