N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine

C24H21ClN2O4S — CID 16804653

IUPACN-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
SMILESCOc1cc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C24H21ClN2O4S/c1-15-4-10-18(11-5-15)32(28,29)23-14-26-20-13-22(31-3)21(30-2)12-19(20)24(23)27-17-8-6-16(25)7-9-17/h4-14H,1-3H3,(H,26,27)
InChIKeyRFWRCDXDWDDBLF-UHFFFAOYSA-N
MW468.96 g/mol
LogP5.79
Rot. Bonds6

About N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine

N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine (PubChem CID 16804653) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
PubChem CID16804653
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC NameN-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
SMILESCOc1cc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C24H21ClN2O4S/c1-15-4-10-18(11-5-15)32(28,29)23-14-26-20-13-22(31-3)21(30-2)12-19(20)24(23)27-17-8-6-16(25)7-9-17/h4-14H,1-3H3,(H,26,27)
InChIKeyRFWRCDXDWDDBLF-UHFFFAOYSA-N
XLogP5.79
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.96
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590835
6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 146080934
3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine
CID 18590226
4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6,7-dimethoxyquinoline
CID 18559569
6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 18560146
4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline
CID 16807320
4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline
CID 56923453
N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
CID 18560452
3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline
CID 25167451
[4-(3,4-dimethylphenyl)sulfonyl-6,7-dimethoxyquinolin-3-yl]-(4-methylphenyl)methanone
CID 20882692
4-(4-methylanilino)quinoline-3-sulfonic acid
CID 15306585

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine (CID 16804653) is N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine is COc1cc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(Cl)cc3)c2cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The InChIKey is RFWRCDXDWDDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-15-4-10-18(11-5-15)32(28,29)23-14-26-20-13-22(31-3)21(30-2)12-19(20)24(23)27-17-8-6-16(25)7-9-17/h4-14H,1-3H3,(H,26,27).
What are the key properties of N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine?
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine has a molecular weight of 468.96 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine is sourced from PubChem (CID 16804653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).