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

C30H22ClN5O3S — CID 137439050

IUPACN-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1
InChIInChI=1S/C30H22ClN5O3S/c1-18-9-10-24(17-33-18)40(38,39)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)
InChIKeyAZFNMEYWBDJLSH-UHFFFAOYSA-N
MW568.06 g/mol
LogP5.64
Rot. Bonds6

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

N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide (PubChem CID 137439050) has the molecular formula C30H22ClN5O3S and a molecular weight of 568.06 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-sulfonamide.

Molecular Properties

Compound NameN-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
PubChem CID137439050
Molecular FormulaC30H22ClN5O3S
Molecular Weight568.06 g/mol
Exact Mass567.11
IUPAC NameN-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1
InChIInChI=1S/C30H22ClN5O3S/c1-18-9-10-24(17-33-18)40(38,39)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)
InChIKeyAZFNMEYWBDJLSH-UHFFFAOYSA-N
XLogP5.64
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.06
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 161103358
6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438652
N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide
CID 158903317
7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656614
N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide
CID 155007014
6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137439010
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
1-[[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 155006883
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438503
6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438636

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-sulfonamide?
The IUPAC name of N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide (CID 137439050) is N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide.
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-sulfonamide?
The canonical SMILES for N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide is Cc1ccc(S(=O)(=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-sulfonamide?
The InChIKey is AZFNMEYWBDJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN5O3S/c1-18-9-10-24(17-33-18)40(38,39)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-sulfonamide?
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide has a molecular weight of 568.06 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-sulfonamide is sourced from PubChem (CID 137439050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).