2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde

C15H16N2O — CID 54884071

IUPAC2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde
SMILESCN(CC1CC1)c1nc2ccccc2cc1C=O
InChIInChI=1S/C15H16N2O/c1-17(9-11-6-7-11)15-13(10-18)8-12-4-2-3-5-14(12)16-15/h2-5,8,10-11H,6-7,9H2,1H3
InChIKeyBVBKQUZIHPPRAT-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.89
Rot. Bonds4

About 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde

2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde (PubChem CID 54884071) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde
PubChem CID54884071
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde
SMILESCN(CC1CC1)c1nc2ccccc2cc1C=O
InChIInChI=1S/C15H16N2O/c1-17(9-11-6-7-11)15-13(10-18)8-12-4-2-3-5-14(12)16-15/h2-5,8,10-11H,6-7,9H2,1H3
InChIKeyBVBKQUZIHPPRAT-UHFFFAOYSA-N
XLogP2.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde (CID 54884071) is 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde is CN(CC1CC1)c1nc2ccccc2cc1C=O.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde?
The InChIKey is BVBKQUZIHPPRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17(9-11-6-7-11)15-13(10-18)8-12-4-2-3-5-14(12)16-15/h2-5,8,10-11H,6-7,9H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde?
2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde is sourced from PubChem (CID 54884071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).