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

C20H27N3O2 — CID 130276659

IUPAC7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one
SMILESCOc1cc2ccc(N3CCC([C@H](C)N)C3)c(C)c2n(C2CC2)c1=O
InChIInChI=1S/C20H27N3O2/c1-12-17(22-9-8-15(11-22)13(2)21)7-4-14-10-18(25-3)20(24)23(19(12)14)16-5-6-16/h4,7,10,13,15-16H,5-6,8-9,11,21H2,1-3H3/t13-,15?/m0/s1
InChIKeyLKFLFLFYKJRBPM-CFMCSPIPSA-N
MW341.46 g/mol
LogP2.83
Rot. Bonds4

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

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one (PubChem CID 130276659) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one.

Molecular Properties

Compound Name7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one
PubChem CID130276659
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one
SMILESCOc1cc2ccc(N3CCC([C@H](C)N)C3)c(C)c2n(C2CC2)c1=O
InChIInChI=1S/C20H27N3O2/c1-12-17(22-9-8-15(11-22)13(2)21)7-4-14-10-18(25-3)20(24)23(19(12)14)16-5-6-16/h4,7,10,13,15-16H,5-6,8-9,11,21H2,1-3H3/t13-,15?/m0/s1
InChIKeyLKFLFLFYKJRBPM-CFMCSPIPSA-N
XLogP2.83
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one
CID 130274967
[1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite
CID 145013104
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methylquinolin-2-one
CID 130276547
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864696
3-amino-7-[(3R)-3-[(1S)-1-amino-2-ethoxyethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methylquinazoline-2,4-dione
CID 67014013
3-amino-7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione;hydrochloride
CID 21041098
3-amino-7-[3-[(1S)-1-amino-2-phenoxyethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methylquinazoline-2,4-dione
CID 69071566
3-amino-7-[(3R)-3-[(1S)-1-amino-2-phenoxyethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methylquinazoline-2,4-dione
CID 69071560
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874
1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine
CID 83981845

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one?
The IUPAC name of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one (CID 130276659) is 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one.
What is the SMILES notation for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one?
The canonical SMILES for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one is COc1cc2ccc(N3CCC([C@H](C)N)C3)c(C)c2n(C2CC2)c1=O.
What is the InChIKey of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one?
The InChIKey is LKFLFLFYKJRBPM-CFMCSPIPSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-12-17(22-9-8-15(11-22)13(2)21)7-4-14-10-18(25-3)20(24)23(19(12)14)16-5-6-16/h4,7,10,13,15-16H,5-6,8-9,11,21H2,1-3H3/t13-,15?/m0/s1.
What are the key properties of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one?
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one is sourced from PubChem (CID 130276659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).