3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide

C19H25N3O — CID 53346494

IUPAC3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCc1cc2ccccc2nc1N)C1CCCCC1
InChIInChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21)
InChIKeyGRFOHUBBUMAJMM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.54
Rot. Bonds4

About 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide

3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide (PubChem CID 53346494) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
PubChem CID53346494
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCc1cc2ccccc2nc1N)C1CCCCC1
InChIInChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21)
InChIKeyGRFOHUBBUMAJMM-UHFFFAOYSA-N
XLogP3.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide (CID 53346494) is 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide is CN(C(=O)CCc1cc2ccccc2nc1N)C1CCCCC1.
What is the InChIKey of 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide?
The InChIKey is GRFOHUBBUMAJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21).
What are the key properties of 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide?
3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 53346494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).