N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C17H26N2O2 — CID 110203901

IUPACN-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NC3CCCC3)CCCC=C12
InChIInChI=1S/C17H26N2O2/c1-2-19-14-9-5-6-11-17(14,12-10-15(19)20)16(21)18-13-7-3-4-8-13/h9,13H,2-8,10-12H2,1H3,(H,18,21)
InChIKeyQUQFZMWHCCAQGT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds3

About N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 110203901) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID110203901
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NC3CCCC3)CCCC=C12
InChIInChI=1S/C17H26N2O2/c1-2-19-14-9-5-6-11-17(14,12-10-15(19)20)16(21)18-13-7-3-4-8-13/h9,13H,2-8,10-12H2,1H3,(H,18,21)
InChIKeyQUQFZMWHCCAQGT-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 110203901) is N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is CCN1C(=O)CCC2(C(=O)NC3CCCC3)CCCC=C12.
What is the InChIKey of N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is QUQFZMWHCCAQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-19-14-9-5-6-11-17(14,12-10-15(19)20)16(21)18-13-7-3-4-8-13/h9,13H,2-8,10-12H2,1H3,(H,18,21).
What are the key properties of N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 110203901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).