5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile

C25H18N4O — CID 137350391

IUPAC5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile
SMILESCOc1ccc2c(C#N)c(N)n3c(-c4ccccc4)c(-c4ccccc4)nc3c2c1
InChIInChI=1S/C25H18N4O/c1-30-18-12-13-19-20(14-18)25-28-22(16-8-4-2-5-9-16)23(17-10-6-3-7-11-17)29(25)24(27)21(19)15-26/h2-14H,27H2,1H3
InChIKeyOCILGLCDFURDKY-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.28
Rot. Bonds3

About 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile

5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile (PubChem CID 137350391) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile.

Molecular Properties

Compound Name5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile
PubChem CID137350391
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC Name5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile
SMILESCOc1ccc2c(C#N)c(N)n3c(-c4ccccc4)c(-c4ccccc4)nc3c2c1
InChIInChI=1S/C25H18N4O/c1-30-18-12-13-19-20(14-18)25-28-22(16-8-4-2-5-9-16)23(17-10-6-3-7-11-17)29(25)24(27)21(19)15-26/h2-14H,27H2,1H3
InChIKeyOCILGLCDFURDKY-UHFFFAOYSA-N
XLogP5.28
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
5-(3,5-dimethoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
CID 139235828
2-amino-1-benzyl-5-(4-methoxyphenyl)-4-phenylpyrrole-3-carbonitrile
CID 59536507
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate
CID 137350415
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277
2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
CID 90970598
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
7-amino-2-methoxy-4-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 10683923

Frequently Asked Questions

What is the IUPAC name of 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile?
The IUPAC name of 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile (CID 137350391) is 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile.
What is the SMILES notation for 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile?
The canonical SMILES for 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile is COc1ccc2c(C#N)c(N)n3c(-c4ccccc4)c(-c4ccccc4)nc3c2c1.
What is the InChIKey of 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile?
The InChIKey is OCILGLCDFURDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c1-30-18-12-13-19-20(14-18)25-28-22(16-8-4-2-5-9-16)23(17-10-6-3-7-11-17)29(25)24(27)21(19)15-26/h2-14H,27H2,1H3.
What are the key properties of 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile?
5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile has a molecular weight of 390.45 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile is sourced from PubChem (CID 137350391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).