3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide

C19H25N3O — CID 53346495

IUPAC3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NCC1CCCCC1
InChIInChI=1S/C19H25N3O/c20-19-16(12-15-8-4-5-9-17(15)22-19)10-11-18(23)21-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2,(H2,20,22)(H,21,23)
InChIKeyYOUIXYWUUXULRM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.45
Rot. Bonds5

About 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide

3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide (PubChem CID 53346495) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
PubChem CID53346495
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NCC1CCCCC1
InChIInChI=1S/C19H25N3O/c20-19-16(12-15-8-4-5-9-17(15)22-19)10-11-18(23)21-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2,(H2,20,22)(H,21,23)
InChIKeyYOUIXYWUUXULRM-UHFFFAOYSA-N
XLogP3.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide (CID 53346495) is 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide is Nc1nc2ccccc2cc1CCC(=O)NCC1CCCCC1.
What is the InChIKey of 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide?
The InChIKey is YOUIXYWUUXULRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-19-16(12-15-8-4-5-9-17(15)22-19)10-11-18(23)21-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2,(H2,20,22)(H,21,23).
What are the key properties of 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide?
3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 53346495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).