3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide

C24H17ClN4O2S — CID 137438600

IUPAC3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide
SMILESCNS(=O)c1c(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12
InChIInChI=1S/C24H17ClN4O2S/c1-26-32(31)23-17-9-10-19(30)28-24(17)29-22(14-6-3-2-4-7-14)20(23)16-12-15-8-5-11-27-21(15)18(25)13-16/h2-13,26H,1H3,(H,28,29,30)
InChIKeyIJUZLAMRSIMEOC-UHFFFAOYSA-N
MW460.95 g/mol
LogP4.70
Rot. Bonds4

About 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide

3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide (PubChem CID 137438600) has the molecular formula C24H17ClN4O2S and a molecular weight of 460.95 g/mol. Its IUPAC name is 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide.

Molecular Properties

Compound Name3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide
PubChem CID137438600
Molecular FormulaC24H17ClN4O2S
Molecular Weight460.95 g/mol
Exact Mass460.08
IUPAC Name3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide
SMILESCNS(=O)c1c(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12
InChIInChI=1S/C24H17ClN4O2S/c1-26-32(31)23-17-9-10-19(30)28-24(17)29-22(14-6-3-2-4-7-14)20(23)16-12-15-8-5-11-27-21(15)18(25)13-16/h2-13,26H,1H3,(H,28,29,30)
InChIKeyIJUZLAMRSIMEOC-UHFFFAOYSA-N
XLogP4.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.95
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide?
The IUPAC name of 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide (CID 137438600) is 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide.
What is the SMILES notation for 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide?
The canonical SMILES for 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide is CNS(=O)c1c(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12.
What is the InChIKey of 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide?
The InChIKey is IJUZLAMRSIMEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2S/c1-26-32(31)23-17-9-10-19(30)28-24(17)29-22(14-6-3-2-4-7-14)20(23)16-12-15-8-5-11-27-21(15)18(25)13-16/h2-13,26H,1H3,(H,28,29,30).
What are the key properties of 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide?
3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide has a molecular weight of 460.95 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroquinolin-6-yl)-N-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-sulfinamide is sourced from PubChem (CID 137438600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).