2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile

C18H15N3O2 — CID 70227227

IUPAC2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
SMILESCOc1ccc2nc(N)c(C#N)c(-c3ccccc3)c2c1OC
InChIInChI=1S/C18H15N3O2/c1-22-14-9-8-13-16(17(14)23-2)15(11-6-4-3-5-7-11)12(10-19)18(20)21-13/h3-9H,1-2H3,(H2,20,21)
InChIKeyJMGXVTSVZWGKHU-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.37
Rot. Bonds3

About 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile

2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile (PubChem CID 70227227) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
PubChem CID70227227
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
SMILESCOc1ccc2nc(N)c(C#N)c(-c3ccccc3)c2c1OC
InChIInChI=1S/C18H15N3O2/c1-22-14-9-8-13-16(17(14)23-2)15(11-6-4-3-5-7-11)12(10-19)18(20)21-13/h3-9H,1-2H3,(H2,20,21)
InChIKeyJMGXVTSVZWGKHU-UHFFFAOYSA-N
XLogP3.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
CID 123813624
3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4896111
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633482
2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
CID 169396208
2-amino-6-methoxy-4-(3-phenylphenyl)pyridine-3,5-dicarbonitrile
CID 170319410
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile (CID 70227227) is 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile is COc1ccc2nc(N)c(C#N)c(-c3ccccc3)c2c1OC.
What is the InChIKey of 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile?
The InChIKey is JMGXVTSVZWGKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-22-14-9-8-13-16(17(14)23-2)15(11-6-4-3-5-7-11)12(10-19)18(20)21-13/h3-9H,1-2H3,(H2,20,21).
What are the key properties of 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile?
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile is sourced from PubChem (CID 70227227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).