N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C16H22N2O — CID 106901730

IUPACN-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCCC1CCC1)C1CNc2ccccc2C1
InChIInChI=1S/C16H22N2O/c19-16(17-9-8-12-4-3-5-12)14-10-13-6-1-2-7-15(13)18-11-14/h1-2,6-7,12,14,18H,3-5,8-11H2,(H,17,19)
InChIKeyJUWREIKDXRTWFI-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.58
Rot. Bonds4

About N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901730) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901730
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCCC1CCC1)C1CNc2ccccc2C1
InChIInChI=1S/C16H22N2O/c19-16(17-9-8-12-4-3-5-12)14-10-13-6-1-2-7-15(13)18-11-14/h1-2,6-7,12,14,18H,3-5,8-11H2,(H,17,19)
InChIKeyJUWREIKDXRTWFI-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 115519993
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901428
N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901469
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901808
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901441
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901620

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901730) is N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NCCC1CCC1)C1CNc2ccccc2C1.
What is the InChIKey of N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is JUWREIKDXRTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(17-9-8-12-4-3-5-12)14-10-13-6-1-2-7-15(13)18-11-14/h1-2,6-7,12,14,18H,3-5,8-11H2,(H,17,19).
What are the key properties of N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).