3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine

C23H19ClN2O3S — CID 18590226

IUPAC3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine
SMILESCOc1cccc(Nc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(C)cc23)c1
InChIInChI=1S/C23H19ClN2O3S/c1-15-6-11-21-20(12-15)23(26-17-4-3-5-18(13-17)29-2)22(14-25-21)30(27,28)19-9-7-16(24)8-10-19/h3-14H,1-2H3,(H,25,26)
InChIKeyHRXBEALGQXRROP-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.78
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine

3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine (PubChem CID 18590226) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine
PubChem CID18590226
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine
SMILESCOc1cccc(Nc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(C)cc23)c1
InChIInChI=1S/C23H19ClN2O3S/c1-15-6-11-21-20(12-15)23(26-17-4-3-5-18(13-17)29-2)22(14-25-21)30(27,28)19-9-7-16(24)8-10-19/h3-14H,1-2H3,(H,25,26)
InChIKeyHRXBEALGQXRROP-UHFFFAOYSA-N
XLogP5.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine (CID 18590226) is 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine is COc1cccc(Nc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(C)cc23)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine?
The InChIKey is HRXBEALGQXRROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-15-6-11-21-20(12-15)23(26-17-4-3-5-18(13-17)29-2)22(14-25-21)30(27,28)19-9-7-16(24)8-10-19/h3-14H,1-2H3,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine?
3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine has a molecular weight of 438.94 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine is sourced from PubChem (CID 18590226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).