N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide

C23H30N4O6S — CID 118094036

IUPACN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(NCCOCCO)c(=O)[nH]c2c1
InChIInChI=1S/C23H30N4O6S/c1-14-22(15(2)33-26-14)16-11-19-18(13-20(23(29)25-19)24-7-9-32-10-8-28)21(12-16)34(30,31)27-17-5-3-4-6-17/h11-13,17,24,27-28H,3-10H2,1-2H3,(H,25,29)
InChIKeyJULARUTUAWVEPR-UHFFFAOYSA-N
MW490.58 g/mol
LogP2.44
Rot. Bonds10

About N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide

N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide (PubChem CID 118094036) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide
PubChem CID118094036
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(NCCOCCO)c(=O)[nH]c2c1
InChIInChI=1S/C23H30N4O6S/c1-14-22(15(2)33-26-14)16-11-19-18(13-20(23(29)25-19)24-7-9-32-10-8-28)21(12-16)34(30,31)27-17-5-3-4-6-17/h11-13,17,24,27-28H,3-10H2,1-2H3,(H,25,29)
InChIKeyJULARUTUAWVEPR-UHFFFAOYSA-N
XLogP2.44
TPSA146.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118093992
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094016
N-cyclopentyl-3-(1,3-dihydroxypropan-2-ylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094082
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118093993
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide
CID 91799311
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 144852369
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide
CID 144852412
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
CID 86282834
2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
CID 118094028
5-[(cyclopentylideneamino)-dihydroxy-λ4-sulfanyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-3-carboxylic acid
CID 123746345
[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol
CID 158140170

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide?
The IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide (CID 118094036) is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide is Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(NCCOCCO)c(=O)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide?
The InChIKey is JULARUTUAWVEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S/c1-14-22(15(2)33-26-14)16-11-19-18(13-20(23(29)25-19)24-7-9-32-10-8-28)21(12-16)34(30,31)27-17-5-3-4-6-17/h11-13,17,24,27-28H,3-10H2,1-2H3,(H,25,29).
What are the key properties of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide?
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide has a molecular weight of 490.58 g/mol, XLogP of 2.44, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide is sourced from PubChem (CID 118094036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).