7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one

C20H27FN4O — CID 130274836

IUPAC7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12
InChIInChI=1S/C20H27FN4O/c1-11-19-16(14(9-22)7-18(26)25(19)15-3-4-15)8-17(21)20(11)24-6-5-13(10-24)12(2)23/h7-8,12-13,15H,3-6,9-10,22-23H2,1-2H3/t12-,13+/m0/s1
InChIKeyIEOMIWSHXNNXIN-QWHCGFSZSA-N
MW358.46 g/mol
LogP2.42
Rot. Bonds4

About 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one

7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one (PubChem CID 130274836) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one.

Molecular Properties

Compound Name7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
PubChem CID130274836
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12
InChIInChI=1S/C20H27FN4O/c1-11-19-16(14(9-22)7-18(26)25(19)15-3-4-15)8-17(21)20(11)24-6-5-13(10-24)12(2)23/h7-8,12-13,15H,3-6,9-10,22-23H2,1-2H3/t12-,13+/m0/s1
InChIKeyIEOMIWSHXNNXIN-QWHCGFSZSA-N
XLogP2.42
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one with MolForge

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Related Compounds

6-Ethyl-7-(methylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22278998
6-Methyl-7-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279049
6-Ethyl-7-[(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279155
6-Methyl-7-(propylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279277
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
CID 130274924
(2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one
CID 9993897
(7S,8R)-7,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10448918
(7S,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10470625
1,6,8,8,10-Pentamethyl-4-trifluoromethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10568861
1,6,8,8-Tetramethyl-4-trifluoromethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10591908
6,8,8,9-Tetramethyl-4-trifluoromethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10710954
1-Ethyl-6,8,8-trimethyl-4-trifluoromethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10830667

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The IUPAC name of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one (CID 130274836) is 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one.
What is the SMILES notation for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The canonical SMILES for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one is Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12.
What is the InChIKey of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The InChIKey is IEOMIWSHXNNXIN-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-11-19-16(14(9-22)7-18(26)25(19)15-3-4-15)8-17(21)20(11)24-6-5-13(10-24)12(2)23/h7-8,12-13,15H,3-6,9-10,22-23H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one has a molecular weight of 358.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-4-(aminomethyl)-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one is sourced from PubChem (CID 130274836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).