N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide

C30H22ClN5O2S — CID 137438496

IUPACN-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide
SMILESCc1ccc(S(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1
InChIInChI=1S/C30H22ClN5O2S/c1-18-9-10-24(17-33-18)39(38)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37/h2-15,17,34H,16H2,1H3,(H,35,36,37)
InChIKeyVXWNATPVFUEICP-UHFFFAOYSA-N
MW552.06 g/mol
LogP5.97
Rot. Bonds6

About N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide

N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide (PubChem CID 137438496) has the molecular formula C30H22ClN5O2S and a molecular weight of 552.06 g/mol. Its IUPAC name is N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide.

Molecular Properties

Compound NameN-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide
PubChem CID137438496
Molecular FormulaC30H22ClN5O2S
Molecular Weight552.06 g/mol
Exact Mass551.12
IUPAC NameN-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide
SMILESCc1ccc(S(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1
InChIInChI=1S/C30H22ClN5O2S/c1-18-9-10-24(17-33-18)39(38)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37/h2-15,17,34H,16H2,1H3,(H,35,36,37)
InChIKeyVXWNATPVFUEICP-UHFFFAOYSA-N
XLogP5.97
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.06
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide?
The IUPAC name of N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide (CID 137438496) is N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide.
What is the SMILES notation for N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide?
The canonical SMILES for N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide is Cc1ccc(S(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.
What is the InChIKey of N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide?
The InChIKey is VXWNATPVFUEICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN5O2S/c1-18-9-10-24(17-33-18)39(38)34-16-23-13-22-14-25(21-12-20-8-5-11-32-28(20)26(31)15-21)27(19-6-3-2-4-7-19)35-29(22)36-30(23)37/h2-15,17,34H,16H2,1H3,(H,35,36,37).
What are the key properties of N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide?
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide has a molecular weight of 552.06 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide is sourced from PubChem (CID 137438496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).