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

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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).