N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide

C14H20N2O — CID 62213109

IUPACN-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCCCCNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C14H20N2O/c1-2-3-9-16-14(17)12-8-4-6-11-7-5-10-15-13(11)12/h4,6,8,15H,2-3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyVAMAGLCDKNLNHL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.57
Rot. Bonds4

About N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 62213109) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID62213109
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCCCCNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C14H20N2O/c1-2-3-9-16-14(17)12-8-4-6-11-7-5-10-15-13(11)12/h4,6,8,15H,2-3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyVAMAGLCDKNLNHL-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
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 N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 62213109) is N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide is CCCCNC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is VAMAGLCDKNLNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-9-16-14(17)12-8-4-6-11-7-5-10-15-13(11)12/h4,6,8,15H,2-3,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 62213109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).