7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one

C30H20N2O2 — CID 170552558

IUPAC7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one
SMILESCc1ccc2c(-c3ccccc3)c(-c3nc4ccccc4nc3-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C30H20N2O2/c1-19-16-17-22-25(18-19)34-30(33)27(26(22)20-10-4-2-5-11-20)29-28(21-12-6-3-7-13-21)31-23-14-8-9-15-24(23)32-29/h2-18H,1H3
InChIKeyBPHURZHGOCHPCV-UHFFFAOYSA-N
MW440.50 g/mol
LogP7.05
Rot. Bonds3

About 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one

7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one (PubChem CID 170552558) has the molecular formula C30H20N2O2 and a molecular weight of 440.50 g/mol. Its IUPAC name is 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one
PubChem CID170552558
Molecular FormulaC30H20N2O2
Molecular Weight440.50 g/mol
Exact Mass440.15
IUPAC Name7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one
SMILESCc1ccc2c(-c3ccccc3)c(-c3nc4ccccc4nc3-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C30H20N2O2/c1-19-16-17-22-25(18-19)34-30(33)27(26(22)20-10-4-2-5-11-20)29-28(21-12-6-3-7-13-21)31-23-14-8-9-15-24(23)32-29/h2-18H,1H3
InChIKeyBPHURZHGOCHPCV-UHFFFAOYSA-N
XLogP7.05
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
3-(4-bromophenyl)-7-hydroxy-4-phenylchromen-2-one
CID 6282046
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
CID 175426427
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione
CID 629442
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one
CID 142252672
3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one
CID 135479945
8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71819080

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one?
The IUPAC name of 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one (CID 170552558) is 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one.
What is the SMILES notation for 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one?
The canonical SMILES for 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one is Cc1ccc2c(-c3ccccc3)c(-c3nc4ccccc4nc3-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one?
The InChIKey is BPHURZHGOCHPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O2/c1-19-16-17-22-25(18-19)34-30(33)27(26(22)20-10-4-2-5-11-20)29-28(21-12-6-3-7-13-21)31-23-14-8-9-15-24(23)32-29/h2-18H,1H3.
What are the key properties of 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one?
7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one has a molecular weight of 440.50 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-3-(3-phenylquinoxalin-2-yl)chromen-2-one is sourced from PubChem (CID 170552558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).