N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide

C24H24N4O4S — CID 91799311

IUPACN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(-c3cccnc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H24N4O4S/c1-14-23(15(2)32-27-14)17-10-21-20(12-19(24(29)26-21)16-6-5-9-25-13-16)22(11-17)33(30,31)28-18-7-3-4-8-18/h5-6,9-13,18,28H,3-4,7-8H2,1-2H3,(H,26,29)
InChIKeyQVFVMOGPQUUSMR-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.08
Rot. Bonds5

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

N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide (PubChem CID 91799311) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide
PubChem CID91799311
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(-c3cccnc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H24N4O4S/c1-14-23(15(2)32-27-14)17-10-21-20(12-19(24(29)26-21)16-6-5-9-25-13-16)22(11-17)33(30,31)28-18-7-3-4-8-18/h5-6,9-13,18,28H,3-4,7-8H2,1-2H3,(H,26,29)
InChIKeyQVFVMOGPQUUSMR-UHFFFAOYSA-N
XLogP4.08
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide?
The IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide (CID 91799311) is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide is Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(-c3cccnc3)c(=O)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide?
The InChIKey is QVFVMOGPQUUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-14-23(15(2)32-27-14)17-10-21-20(12-19(24(29)26-21)16-6-5-9-25-13-16)22(11-17)33(30,31)28-18-7-3-4-8-18/h5-6,9-13,18,28H,3-4,7-8H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide?
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide has a molecular weight of 464.55 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide is sourced from PubChem (CID 91799311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).