N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide

C19H12ClN3O4S — CID 167977381

IUPACN-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)cc2cccnc12)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H12ClN3O4S/c20-13-8-12-5-3-7-21-17(12)16(10-13)28(26,27)23-19(25)14-9-11-4-1-2-6-15(11)22-18(14)24/h1-10H,(H,22,24)(H,23,25)
InChIKeyJBBTVOJLPQCUNK-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.85
Rot. Bonds3

About N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide

N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 167977381) has the molecular formula C19H12ClN3O4S and a molecular weight of 413.84 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID167977381
Molecular FormulaC19H12ClN3O4S
Molecular Weight413.84 g/mol
Exact Mass413.02
IUPAC NameN-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)cc2cccnc12)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H12ClN3O4S/c20-13-8-12-5-3-7-21-17(12)16(10-13)28(26,27)23-19(25)14-9-11-4-1-2-6-15(11)22-18(14)24/h1-10H,(H,22,24)(H,23,25)
InChIKeyJBBTVOJLPQCUNK-UHFFFAOYSA-N
XLogP2.85
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide (CID 167977381) is N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide is O=C(NS(=O)(=O)c1cc(Cl)cc2cccnc12)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JBBTVOJLPQCUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O4S/c20-13-8-12-5-3-7-21-17(12)16(10-13)28(26,27)23-19(25)14-9-11-4-1-2-6-15(11)22-18(14)24/h1-10H,(H,22,24)(H,23,25).
What are the key properties of N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide?
N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)sulfonyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167977381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).