7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide

C26H23ClN4O4S — CID 2220458

IUPAC7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(-c3cccnc3)nc12
InChIInChI=1S/C26H23ClN4O4S/c1-17-23(27)9-8-21-22(15-24(30-25(17)21)18-3-2-10-28-16-18)26(32)29-19-4-6-20(7-5-19)36(33,34)31-11-13-35-14-12-31/h2-10,15-16H,11-14H2,1H3,(H,29,32)
InChIKeyNSXLTXUNWOWIJU-UHFFFAOYSA-N
MW523.01 g/mol
LogP4.53
Rot. Bonds5

About 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide

7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2220458) has the molecular formula C26H23ClN4O4S and a molecular weight of 523.01 g/mol. Its IUPAC name is 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2220458
Molecular FormulaC26H23ClN4O4S
Molecular Weight523.01 g/mol
Exact Mass522.11
IUPAC Name7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(-c3cccnc3)nc12
InChIInChI=1S/C26H23ClN4O4S/c1-17-23(27)9-8-21-22(15-24(30-25(17)21)18-3-2-10-28-16-18)26(32)29-19-4-6-20(7-5-19)36(33,34)31-11-13-35-14-12-31/h2-10,15-16H,11-14H2,1H3,(H,29,32)
InChIKeyNSXLTXUNWOWIJU-UHFFFAOYSA-N
XLogP4.53
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.01
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 2220458) is 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(-c3cccnc3)nc12.
What is the InChIKey of 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is NSXLTXUNWOWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4S/c1-17-23(27)9-8-21-22(15-24(30-25(17)21)18-3-2-10-28-16-18)26(32)29-19-4-6-20(7-5-19)36(33,34)31-11-13-35-14-12-31/h2-10,15-16H,11-14H2,1H3,(H,29,32).
What are the key properties of 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 523.01 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).