4-(2-amino-3-pentylquinolin-5-yl)butanamide

C18H25N3O — CID 122192101

IUPAC4-(2-amino-3-pentylquinolin-5-yl)butanamide
SMILESCCCCCc1cc2c(CCCC(N)=O)cccc2nc1N
InChIInChI=1S/C18H25N3O/c1-2-3-4-7-14-12-15-13(9-6-11-17(19)22)8-5-10-16(15)21-18(14)20/h5,8,10,12H,2-4,6-7,9,11H2,1H3,(H2,19,22)(H2,20,21)
InChIKeyUDJAKQKUWHHMEN-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.36
Rot. Bonds8

About 4-(2-amino-3-pentylquinolin-5-yl)butanamide

4-(2-amino-3-pentylquinolin-5-yl)butanamide (PubChem CID 122192101) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-(2-amino-3-pentylquinolin-5-yl)butanamide.

Molecular Properties

Compound Name4-(2-amino-3-pentylquinolin-5-yl)butanamide
PubChem CID122192101
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-(2-amino-3-pentylquinolin-5-yl)butanamide
SMILESCCCCCc1cc2c(CCCC(N)=O)cccc2nc1N
InChIInChI=1S/C18H25N3O/c1-2-3-4-7-14-12-15-13(9-6-11-17(19)22)8-5-10-16(15)21-18(14)20/h5,8,10,12H,2-4,6-7,9,11H2,1H3,(H2,19,22)(H2,20,21)
InChIKeyUDJAKQKUWHHMEN-UHFFFAOYSA-N
XLogP3.36
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-pentylquinolin-5-yl)butanamide?
The IUPAC name of 4-(2-amino-3-pentylquinolin-5-yl)butanamide (CID 122192101) is 4-(2-amino-3-pentylquinolin-5-yl)butanamide.
What is the SMILES notation for 4-(2-amino-3-pentylquinolin-5-yl)butanamide?
The canonical SMILES for 4-(2-amino-3-pentylquinolin-5-yl)butanamide is CCCCCc1cc2c(CCCC(N)=O)cccc2nc1N.
What is the InChIKey of 4-(2-amino-3-pentylquinolin-5-yl)butanamide?
The InChIKey is UDJAKQKUWHHMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-3-4-7-14-12-15-13(9-6-11-17(19)22)8-5-10-16(15)21-18(14)20/h5,8,10,12H,2-4,6-7,9,11H2,1H3,(H2,19,22)(H2,20,21).
What are the key properties of 4-(2-amino-3-pentylquinolin-5-yl)butanamide?
4-(2-amino-3-pentylquinolin-5-yl)butanamide has a molecular weight of 299.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-pentylquinolin-5-yl)butanamide is sourced from PubChem (CID 122192101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).