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

C20H24N4O4S — CID 118094016

IUPACN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
SMILESCNc1cc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2[nH]c1=O
InChIInChI=1S/C20H24N4O4S/c1-11-19(12(2)28-23-11)13-8-16-15(10-17(21-3)20(25)22-16)18(9-13)29(26,27)24-14-6-4-5-7-14/h8-10,14,21,24H,4-7H2,1-3H3,(H,22,25)
InChIKeyUVPYJQPIOZOJKD-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.06
Rot. Bonds5

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

N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide (PubChem CID 118094016) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
PubChem CID118094016
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
SMILESCNc1cc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2[nH]c1=O
InChIInChI=1S/C20H24N4O4S/c1-11-19(12(2)28-23-11)13-8-16-15(10-17(21-3)20(25)22-16)18(9-13)29(26,27)24-14-6-4-5-7-14/h8-10,14,21,24H,4-7H2,1-3H3,(H,22,25)
InChIKeyUVPYJQPIOZOJKD-UHFFFAOYSA-N
XLogP3.06
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.06
H-Bond Donors ≤ 53
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)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide?
The IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide (CID 118094016) is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide is CNc1cc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2[nH]c1=O.
What is the InChIKey of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide?
The InChIKey is UVPYJQPIOZOJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-11-19(12(2)28-23-11)13-8-16-15(10-17(21-3)20(25)22-16)18(9-13)29(26,27)24-14-6-4-5-7-14/h8-10,14,21,24H,4-7H2,1-3H3,(H,22,25).
What are the key properties of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide?
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide has a molecular weight of 416.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 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)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide is sourced from PubChem (CID 118094016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).