2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile

C18H15N3O — CID 68577120

IUPAC2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile
SMILESCOc1ccccc1CNc1ccc2cc(C#N)ccc2n1
InChIInChI=1S/C18H15N3O/c1-22-17-5-3-2-4-15(17)12-20-18-9-7-14-10-13(11-19)6-8-16(14)21-18/h2-10H,12H2,1H3,(H,20,21)
InChIKeyZSHPQUOYKGDCDR-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.73
Rot. Bonds4

About 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile

2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile (PubChem CID 68577120) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile
PubChem CID68577120
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile
SMILESCOc1ccccc1CNc1ccc2cc(C#N)ccc2n1
InChIInChI=1S/C18H15N3O/c1-22-17-5-3-2-4-15(17)12-20-18-9-7-14-10-13(11-19)6-8-16(14)21-18/h2-10H,12H2,1H3,(H,20,21)
InChIKeyZSHPQUOYKGDCDR-UHFFFAOYSA-N
XLogP3.73
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile 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

6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile
CID 174544133
N-[(2-methoxyphenyl)methyl]-6-(2-pyridin-4-ylethenyl)quinolin-2-amine
CID 68576101
methyl 3-[[(6-cyanoquinolin-2-yl)amino]methyl]-4-fluorobenzoate
CID 133449651
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile
CID 133444982
N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759706
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
6-methoxy-2-N-[(2-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 43260997
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932
N-(3-cyanophenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370268
2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile
CID 142873933
4-[(2-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843617
(1S,4S)-N-[2-[(2-methoxyphenyl)methylamino]quinolin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide
CID 90770722

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile (CID 68577120) is 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile is COc1ccccc1CNc1ccc2cc(C#N)ccc2n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile?
The InChIKey is ZSHPQUOYKGDCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-22-17-5-3-2-4-15(17)12-20-18-9-7-14-10-13(11-19)6-8-16(14)21-18/h2-10H,12H2,1H3,(H,20,21).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile?
2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile is sourced from PubChem (CID 68577120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).