N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C17H22N2O — CID 106175431

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCCC1=CCCC1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H22N2O/c20-17(19-11-9-13-4-1-2-5-13)15-7-8-16-14(12-15)6-3-10-18-16/h4,7-8,12,18H,1-3,5-6,9-11H2,(H,19,20)
InChIKeyBKUXLIZKLQGION-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 106175431) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID106175431
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCCC1=CCCC1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H22N2O/c20-17(19-11-9-13-4-1-2-5-13)15-7-8-16-14(12-15)6-3-10-18-16/h4,7-8,12,18H,1-3,5-6,9-11H2,(H,19,20)
InChIKeyBKUXLIZKLQGION-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-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-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 106175471
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106011165
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 106175431) is N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(NCCC1=CCCC1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is BKUXLIZKLQGION-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(19-11-9-13-4-1-2-5-13)15-7-8-16-14(12-15)6-3-10-18-16/h4,7-8,12,18H,1-3,5-6,9-11H2,(H,19,20).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 106175431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).