N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C17H26N2O2 — CID 106011165

IUPACN-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(C)OCCCCNC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H26N2O2/c1-13(2)21-11-4-3-9-19-17(20)15-7-8-16-14(12-15)6-5-10-18-16/h7-8,12-13,18H,3-6,9-11H2,1-2H3,(H,19,20)
InChIKeyKGHQLBQGLARCSQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.98
Rot. Bonds7

About N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 106011165) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID106011165
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(C)OCCCCNC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H26N2O2/c1-13(2)21-11-4-3-9-19-17(20)15-7-8-16-14(12-15)6-5-10-18-16/h7-8,12-13,18H,3-6,9-11H2,1-2H3,(H,19,20)
InChIKeyKGHQLBQGLARCSQ-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-propan-2-yloxybutyl)-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-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118425
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106175431
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 106011165) is N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is CC(C)OCCCCNC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is KGHQLBQGLARCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-11-4-3-9-19-17(20)15-7-8-16-14(12-15)6-5-10-18-16/h7-8,12-13,18H,3-6,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 106011165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).