5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one

C28H17N5O — CID 146639211

IUPAC5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one
SMILESO=c1c2nc3ccccc3n2c2ccccc2n1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C28H17N5O/c34-28-27-30-21-14-6-7-15-22(21)32(27)23-16-8-9-17-24(23)33(28)26-19-12-4-5-13-20(19)29-25(31-26)18-10-2-1-3-11-18/h1-17H
InChIKeySIXUNHYTIIUJQV-UHFFFAOYSA-N
MW439.48 g/mol
LogP5.40
Rot. Bonds2

About 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one

5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one (PubChem CID 146639211) has the molecular formula C28H17N5O and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one
PubChem CID146639211
Molecular FormulaC28H17N5O
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC Name5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one
SMILESO=c1c2nc3ccccc3n2c2ccccc2n1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C28H17N5O/c34-28-27-30-21-14-6-7-15-22(21)32(27)23-16-8-9-17-24(23)33(28)26-19-12-4-5-13-20(19)29-25(31-26)18-10-2-1-3-11-18/h1-17H
InChIKeySIXUNHYTIIUJQV-UHFFFAOYSA-N
XLogP5.40
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

25-phenyl-3,10,17-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,19,21,23-undecaen-18-one
CID 165126070
5-(3-triphenylen-2-ylphenyl)benzimidazolo[1,2-a]quinoxalin-6-one
CID 163895295
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,20,22,24-undecaen-19-one
CID 165126136
11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
CID 155006123
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenylbenzimidazolo[1,2-a]quinoxalin-6-one;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylbenzimidazolo[1,2-a]quinoxalin-6-one;5-phenyl-9-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinoxalin-6-one;5-phenyl-2-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]quinoxalin-6-one
CID 163988390
21-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9,17,25-tetrazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,19(24),20,22-undecaen-18-one
CID 165126102
4-(benzotriazol-1-yl)-2-phenylquinazoline
CID 2455828
5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole
CID 163513367
7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 171448271
10,12-diphenyl-9,11,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 163388356
6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one
CID 171606304
11-phenyl-9-(3-phenylcarbazol-9-yl)-10,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 163388252

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one?
The IUPAC name of 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one (CID 146639211) is 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one?
The canonical SMILES for 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one is O=c1c2nc3ccccc3n2c2ccccc2n1-c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one?
The InChIKey is SIXUNHYTIIUJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N5O/c34-28-27-30-21-14-6-7-15-22(21)32(27)23-16-8-9-17-24(23)33(28)26-19-12-4-5-13-20(19)29-25(31-26)18-10-2-1-3-11-18/h1-17H.
What are the key properties of 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one?
5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one has a molecular weight of 439.48 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 146639211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).