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

C19H23ClFN3O — CID 130293279

IUPAC7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CC[C@@H]([C@H](C)NCl)C2)c(F)cc2ccc(=O)n(C3CC3)c12
InChIInChI=1S/C19H23ClFN3O/c1-11-18-13(3-6-17(25)24(18)15-4-5-15)9-16(21)19(11)23-8-7-14(10-23)12(2)22-20/h3,6,9,12,14-15,22H,4-5,7-8,10H2,1-2H3/t12-,14+/m0/s1
InChIKeyMCOPGKMCFGFOJW-GXTWGEPZSA-N
MW363.86 g/mol
LogP3.74
Rot. Bonds4

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

7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one (PubChem CID 130293279) has the molecular formula C19H23ClFN3O and a molecular weight of 363.86 g/mol. Its IUPAC name is 7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one.

Molecular Properties

Compound Name7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
PubChem CID130293279
Molecular FormulaC19H23ClFN3O
Molecular Weight363.86 g/mol
Exact Mass363.15
IUPAC Name7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CC[C@@H]([C@H](C)NCl)C2)c(F)cc2ccc(=O)n(C3CC3)c12
InChIInChI=1S/C19H23ClFN3O/c1-11-18-13(3-6-17(25)24(18)15-4-5-15)9-16(21)19(11)23-8-7-14(10-23)12(2)22-20/h3,6,9,12,14-15,22H,4-5,7-8,10H2,1-2H3/t12-,14+/m0/s1
InChIKeyMCOPGKMCFGFOJW-GXTWGEPZSA-N
XLogP3.74
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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

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Related Compounds

[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid
CID 118864605
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-methoxy-8-methylquinolin-2-one
CID 130274967
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864696
tert-butyl N-[(1S)-1-[(3R)-1-(1-cyclopropyl-6-fluoro-4-hydroxy-3,8-dimethyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate
CID 130287826
ethyl 1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-4-carboxylate
CID 118864736
N-[(1S)-1-[(3R)-1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]acetamide
CID 118864569
(E)-3-[1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinolin-4-yl]prop-2-enoic acid
CID 118864809
tert-butyl N-[(1R)-1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate
CID 69074390
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid;ethyl 1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate;hydrochloride
CID 160630431
methyl 3-[1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinolin-4-yl]prop-2-ynoate
CID 118864573
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one
CID 130274796
N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide
CID 130276682

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The IUPAC name of 7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one (CID 130293279) is 7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one.
What is the SMILES notation for 7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The canonical SMILES for 7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one is Cc1c(N2CC[C@@H]([C@H](C)NCl)C2)c(F)cc2ccc(=O)n(C3CC3)c12.
What is the InChIKey of 7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The InChIKey is MCOPGKMCFGFOJW-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H23ClFN3O/c1-11-18-13(3-6-17(25)24(18)15-4-5-15)9-16(21)19(11)23-8-7-14(10-23)12(2)22-20/h3,6,9,12,14-15,22H,4-5,7-8,10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of 7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one has a molecular weight of 363.86 g/mol, XLogP of 3.74, 4 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-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one is sourced from PubChem (CID 130293279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).