N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide

C20H22FN3O3S — CID 71536768

IUPACN-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCc2c(-c3cc4c(cc3F)N(C)C(=O)CC4)cncc21
InChIInChI=1S/C20H22FN3O3S/c1-3-28(26,27)23-18-6-5-13-15(10-22-11-16(13)18)14-8-12-4-7-20(25)24(2)19(12)9-17(14)21/h8-11,18,23H,3-7H2,1-2H3
InChIKeyZXBMXHVGJUPJTE-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.72
Rot. Bonds4

About N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide

N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide (PubChem CID 71536768) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide
PubChem CID71536768
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC NameN-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCc2c(-c3cc4c(cc3F)N(C)C(=O)CC4)cncc21
InChIInChI=1S/C20H22FN3O3S/c1-3-28(26,27)23-18-6-5-13-15(10-22-11-16(13)18)14-8-12-4-7-20(25)24(2)19(12)9-17(14)21/h8-11,18,23H,3-7H2,1-2H3
InChIKeyZXBMXHVGJUPJTE-UHFFFAOYSA-N
XLogP2.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-fluoro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118408137
(rac)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)ethanesulfonamide
CID 71536222
(rac)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)propionamide
CID 71536225
(rac)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)ethanesulfonamide
CID 71536228
N-(2-(5-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)ethyl)ethanesulfonamide
CID 71536488
(rac)-N-(4-(7-Fluoro-1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)propionamide
CID 71536765
(rac)-N-[4-(7-Fluoro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro isoquinolin-8-yl]-propionamide
CID 71537046
(rac)-Ethanesulfonic acid [4-(8-fluoro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-amide
CID 71537347
N-[(7S,8S)-4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-7-methyl-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537633
N-[(7R,8R)-4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-7-methyl-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537921
N-[(7R,8S)-4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-7-methyl-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537922
N-[(7S,8R)-4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-7-methyl-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537923

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide?
The IUPAC name of N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide (CID 71536768) is N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCc2c(-c3cc4c(cc3F)N(C)C(=O)CC4)cncc21.
What is the InChIKey of N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide?
The InChIKey is ZXBMXHVGJUPJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-3-28(26,27)23-18-6-5-13-15(10-22-11-16(13)18)14-8-12-4-7-20(25)24(2)19(12)9-17(14)21/h8-11,18,23H,3-7H2,1-2H3.
What are the key properties of N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide?
N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide has a molecular weight of 403.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide is sourced from PubChem (CID 71536768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).