4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine

C31H20N4O — CID 140690498

IUPAC4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine
SMILESc1ccc(-c2cccc3cc4c(nc23)N(c2cccc(-c3ccccn3)n2)c2ccccc2O4)cc1
InChIInChI=1S/C31H20N4O/c1-2-10-21(11-3-1)23-13-8-12-22-20-28-31(34-30(22)23)35(26-16-4-5-17-27(26)36-28)29-18-9-15-25(33-29)24-14-6-7-19-32-24/h1-20H
InChIKeyJLIFCEGTMOLDCB-UHFFFAOYSA-N
MW464.53 g/mol
LogP7.93
Rot. Bonds3

About 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine

4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine (PubChem CID 140690498) has the molecular formula C31H20N4O and a molecular weight of 464.53 g/mol. Its IUPAC name is 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine
PubChem CID140690498
Molecular FormulaC31H20N4O
Molecular Weight464.53 g/mol
Exact Mass464.16
IUPAC Name4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine
SMILESc1ccc(-c2cccc3cc4c(nc23)N(c2cccc(-c3ccccn3)n2)c2ccccc2O4)cc1
InChIInChI=1S/C31H20N4O/c1-2-10-21(11-3-1)23-13-8-12-22-20-28-31(34-30(22)23)35(26-16-4-5-17-27(26)36-28)29-18-9-15-25(33-29)24-14-6-7-19-32-24/h1-20H
InChIKeyJLIFCEGTMOLDCB-UHFFFAOYSA-N
XLogP7.93
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine with MolForge

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

Launch Full Analysis

Related Compounds

CID 140691250
CID 140691250
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine
CID 153459557
6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572790
10-[2-[3,5-bis(4-phenoxazin-10-ylpyrimidin-2-yl)phenyl]pyrimidin-4-yl]phenoxazine
CID 147100386
2-[2-(2-phenylphenyl)-6-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 141341209
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine
CID 122433785
10-(2-pyridin-4-ylphenyl)phenoxazine
CID 175717759
10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine
CID 153460045
10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
CID 129290650
5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline
CID 176785202
10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine
CID 129291758

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine?
The IUPAC name of 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine (CID 140690498) is 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine?
The canonical SMILES for 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine is c1ccc(-c2cccc3cc4c(nc23)N(c2cccc(-c3ccccn3)n2)c2ccccc2O4)cc1.
What is the InChIKey of 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine?
The InChIKey is JLIFCEGTMOLDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N4O/c1-2-10-21(11-3-1)23-13-8-12-22-20-28-31(34-30(22)23)35(26-16-4-5-17-27(26)36-28)29-18-9-15-25(33-29)24-14-6-7-19-32-24/h1-20H.
What are the key properties of 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine?
4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine has a molecular weight of 464.53 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 140690498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).