7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one

C19H24FN3O — CID 130274924

IUPAC7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2ccc(=O)n(C3CC3)c12
InChIInChI=1S/C19H24FN3O/c1-11-18-13(3-6-17(24)23(18)15-4-5-15)9-16(20)19(11)22-8-7-14(10-22)12(2)21/h3,6,9,12,14-15H,4-5,7-8,10,21H2,1-2H3/t12-,14+/m0/s1
InChIKeyJKSZENONXRNKSS-GXTWGEPZSA-N
MW329.42 g/mol
LogP2.96
Rot. Bonds3

About 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one

7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one (PubChem CID 130274924) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one.

Molecular Properties

Compound Name7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
PubChem CID130274924
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2ccc(=O)n(C3CC3)c12
InChIInChI=1S/C19H24FN3O/c1-11-18-13(3-6-17(24)23(18)15-4-5-15)9-16(20)19(11)22-8-7-14(10-22)12(2)21/h3,6,9,12,14-15H,4-5,7-8,10,21H2,1-2H3/t12-,14+/m0/s1
InChIKeyJKSZENONXRNKSS-GXTWGEPZSA-N
XLogP2.96
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one with MolForge

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Related Compounds

6-Methyl-7-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279049
(2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one
CID 9993897
(2E)-N-[(1S)-1-(2,3-Dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)-2-propenamide
CID 10244883
1,6,8,8,10-Pentamethyl-4-trifluoromethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10568861
1-Ethyl-6,8,8-trimethyl-4-trifluoromethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10830667
(R)-2-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one
CID 44377064
(5bR,9aR)-1-Methyl-10-propyl-4-trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one
CID 44377072
(5bR,9aR)-1-Ethyl-4-trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one
CID 44377073
(5bR,9aR)-1,10-Dimethyl-4-trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one
CID 44377081
(R)-2,3,3,8-Tetramethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one
CID 44377092
(5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one
CID 44377098
(5bR,7S,9aR)-1,7,10-Trimethyl-4-trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one
CID 44377100

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The IUPAC name of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one (CID 130274924) is 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one.
What is the SMILES notation for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The canonical SMILES for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one is Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2ccc(=O)n(C3CC3)c12.
What is the InChIKey of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The InChIKey is JKSZENONXRNKSS-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-11-18-13(3-6-17(24)23(18)15-4-5-15)9-16(20)19(11)22-8-7-14(10-22)12(2)21/h3,6,9,12,14-15H,4-5,7-8,10,21H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one has a molecular weight of 329.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one is sourced from PubChem (CID 130274924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).