1-pentyl-2H-quinoline-3-carboxamide

C15H20N2O — CID 66821468

IUPAC1-pentyl-2H-quinoline-3-carboxamide
SMILESCCCCCN1CC(C(N)=O)=Cc2ccccc21
InChIInChI=1S/C15H20N2O/c1-2-3-6-9-17-11-13(15(16)18)10-12-7-4-5-8-14(12)17/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H2,16,18)
InChIKeyAOSWFJJJPMCMHY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.57
Rot. Bonds5

About 1-pentyl-2H-quinoline-3-carboxamide

1-pentyl-2H-quinoline-3-carboxamide (PubChem CID 66821468) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-pentyl-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-pentyl-2H-quinoline-3-carboxamide
PubChem CID66821468
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-pentyl-2H-quinoline-3-carboxamide
SMILESCCCCCN1CC(C(N)=O)=Cc2ccccc21
InChIInChI=1S/C15H20N2O/c1-2-3-6-9-17-11-13(15(16)18)10-12-7-4-5-8-14(12)17/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H2,16,18)
InChIKeyAOSWFJJJPMCMHY-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-pentyl-2H-quinoline-3-carboxamide?
The IUPAC name of 1-pentyl-2H-quinoline-3-carboxamide (CID 66821468) is 1-pentyl-2H-quinoline-3-carboxamide.
What is the SMILES notation for 1-pentyl-2H-quinoline-3-carboxamide?
The canonical SMILES for 1-pentyl-2H-quinoline-3-carboxamide is CCCCCN1CC(C(N)=O)=Cc2ccccc21.
What is the InChIKey of 1-pentyl-2H-quinoline-3-carboxamide?
The InChIKey is AOSWFJJJPMCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-6-9-17-11-13(15(16)18)10-12-7-4-5-8-14(12)17/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H2,16,18).
What are the key properties of 1-pentyl-2H-quinoline-3-carboxamide?
1-pentyl-2H-quinoline-3-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2H-quinoline-3-carboxamide is sourced from PubChem (CID 66821468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).