2-[(quinolin-3-ylamino)methyl]benzonitrile

C17H13N3 — CID 104694112

IUPAC2-[(quinolin-3-ylamino)methyl]benzonitrile
SMILESN#Cc1ccccc1CNc1cnc2ccccc2c1
InChIInChI=1S/C17H13N3/c18-10-14-6-1-2-7-15(14)11-19-16-9-13-5-3-4-8-17(13)20-12-16/h1-9,12,19H,11H2
InChIKeyMBRLYEMDCKYBQH-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.72
Rot. Bonds3

About 2-[(quinolin-3-ylamino)methyl]benzonitrile

2-[(quinolin-3-ylamino)methyl]benzonitrile (PubChem CID 104694112) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(quinolin-3-ylamino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(quinolin-3-ylamino)methyl]benzonitrile
PubChem CID104694112
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name2-[(quinolin-3-ylamino)methyl]benzonitrile
SMILESN#Cc1ccccc1CNc1cnc2ccccc2c1
InChIInChI=1S/C17H13N3/c18-10-14-6-1-2-7-15(14)11-19-16-9-13-5-3-4-8-17(13)20-12-16/h1-9,12,19H,11H2
InChIKeyMBRLYEMDCKYBQH-UHFFFAOYSA-N
XLogP3.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-nitrophenyl)methyl]quinolin-3-amine
CID 43691125
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol
CID 115951211
N-(1H-indol-7-ylmethyl)quinolin-3-amine
CID 104624378
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
CID 112739629
N-(1-benzothiophen-3-ylmethyl)quinolin-3-amine
CID 62699615
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
2-[(3-chloroanilino)methyl]benzonitrile
CID 28580577
6-(quinolin-3-ylamino)pyridine-2-carbonitrile
CID 64595711
5-bromo-2-(quinolin-3-ylamino)benzonitrile
CID 114890644

Frequently Asked Questions

What is the IUPAC name of 2-[(quinolin-3-ylamino)methyl]benzonitrile?
The IUPAC name of 2-[(quinolin-3-ylamino)methyl]benzonitrile (CID 104694112) is 2-[(quinolin-3-ylamino)methyl]benzonitrile.
What is the SMILES notation for 2-[(quinolin-3-ylamino)methyl]benzonitrile?
The canonical SMILES for 2-[(quinolin-3-ylamino)methyl]benzonitrile is N#Cc1ccccc1CNc1cnc2ccccc2c1.
What is the InChIKey of 2-[(quinolin-3-ylamino)methyl]benzonitrile?
The InChIKey is MBRLYEMDCKYBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-10-14-6-1-2-7-15(14)11-19-16-9-13-5-3-4-8-17(13)20-12-16/h1-9,12,19H,11H2.
What are the key properties of 2-[(quinolin-3-ylamino)methyl]benzonitrile?
2-[(quinolin-3-ylamino)methyl]benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(quinolin-3-ylamino)methyl]benzonitrile is sourced from PubChem (CID 104694112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).