5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine

C28H21N3O2S — CID 162668131

IUPAC5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine
SMILESCc1ccc(S(=O)(=O)N2Cc3c(nc4cccnc4c3-c3ccccc3)-c3ccccc32)cc1
InChIInChI=1S/C28H21N3O2S/c1-19-13-15-21(16-14-19)34(32,33)31-18-23-26(20-8-3-2-4-9-20)28-24(11-7-17-29-28)30-27(23)22-10-5-6-12-25(22)31/h2-17H,18H2,1H3
InChIKeyCSYHHODBNDVWSA-UHFFFAOYSA-N
MW463.56 g/mol
LogP5.98
Rot. Bonds3

About 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine

5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine (PubChem CID 162668131) has the molecular formula C28H21N3O2S and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine
PubChem CID162668131
Molecular FormulaC28H21N3O2S
Molecular Weight463.56 g/mol
Exact Mass463.14
IUPAC Name5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine
SMILESCc1ccc(S(=O)(=O)N2Cc3c(nc4cccnc4c3-c3ccccc3)-c3ccccc32)cc1
InChIInChI=1S/C28H21N3O2S/c1-19-13-15-21(16-14-19)34(32,33)31-18-23-26(20-8-3-2-4-9-20)28-24(11-7-17-29-28)30-27(23)22-10-5-6-12-25(22)31/h2-17H,18H2,1H3
InChIKeyCSYHHODBNDVWSA-UHFFFAOYSA-N
XLogP5.98
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine 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 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine (CID 162668131) is 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine is Cc1ccc(S(=O)(=O)N2Cc3c(nc4cccnc4c3-c3ccccc3)-c3ccccc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine?
The InChIKey is CSYHHODBNDVWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2S/c1-19-13-15-21(16-14-19)34(32,33)31-18-23-26(20-8-3-2-4-9-20)28-24(11-7-17-29-28)30-27(23)22-10-5-6-12-25(22)31/h2-17H,18H2,1H3.
What are the key properties of 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine?
5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine has a molecular weight of 463.56 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-7-phenyl-6H-quinolino[4,3-b][1,5]naphthyridine is sourced from PubChem (CID 162668131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).