2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile

C15H15N3 — CID 113463859

IUPAC2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
SMILESCC1CC1CNc1nc2ccccc2cc1C#N
InChIInChI=1S/C15H15N3/c1-10-6-13(10)9-17-15-12(8-16)7-11-4-2-3-5-14(11)18-15/h2-5,7,10,13H,6,9H2,1H3,(H,17,18)
InChIKeyXHBPOCJFXBVXRW-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.17
Rot. Bonds3

About 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile

2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile (PubChem CID 113463859) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
PubChem CID113463859
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
SMILESCC1CC1CNc1nc2ccccc2cc1C#N
InChIInChI=1S/C15H15N3/c1-10-6-13(10)9-17-15-12(8-16)7-11-4-2-3-5-14(11)18-15/h2-5,7,10,13H,6,9H2,1H3,(H,17,18)
InChIKeyXHBPOCJFXBVXRW-UHFFFAOYSA-N
XLogP3.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylcyclopropyl)methylamino]quinoline-3-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

2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 167851131
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
3-methyl-N-[(2-methylcyclopentyl)methyl]quinolin-2-amine
CID 107419147
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 106102239
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile
CID 102609273
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102
2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile
CID 103736444
3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 103736415
N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
CID 79834245

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile (CID 113463859) is 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile is CC1CC1CNc1nc2ccccc2cc1C#N.
What is the InChIKey of 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is XHBPOCJFXBVXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-6-13(10)9-17-15-12(8-16)7-11-4-2-3-5-14(11)18-15/h2-5,7,10,13H,6,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile?
2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 113463859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).