N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide

C15H24N2O2 — CID 66795020

IUPACN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
SMILESCCC(=O)NCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C15H24N2O2/c1-2-14(18)16-10-9-15(19)17-11-5-7-12-6-3-4-8-13(12)17/h8,12H,2-7,9-11H2,1H3,(H,16,18)
InChIKeyRCKHYABLAXBMEG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds4

About N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide

N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide (PubChem CID 66795020) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide.

Molecular Properties

Compound NameN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
PubChem CID66795020
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
SMILESCCC(=O)NCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C15H24N2O2/c1-2-14(18)16-10-9-15(19)17-11-5-7-12-6-3-4-8-13(12)17/h8,12H,2-7,9-11H2,1H3,(H,16,18)
InChIKeyRCKHYABLAXBMEG-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide 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

2-cyclopentyl-N-{[1-methyl-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91920200
2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196524
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196527
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
CID 110196532
2-Methyl-N-[(1-methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]propanamide
CID 110196536
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide
CID 110196537
N-[(1-Methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]cyclobutanecarboxamide
CID 110196538
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
CID 110196539
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide
CID 110196540
1-ethyl-2-oxo-N-propan-2-yl-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 110203903
1-Ethyl-2-oxo-N-propyl-1,2,3,4,4A,5,6,7-octahydroquinoline-4A-carboxamide
CID 110203905
N-(cyclopropylmethyl)-1-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 110203906

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide?
The IUPAC name of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide (CID 66795020) is N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide.
What is the SMILES notation for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide?
The canonical SMILES for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide is CCC(=O)NCCC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide?
The InChIKey is RCKHYABLAXBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-14(18)16-10-9-15(19)17-11-5-7-12-6-3-4-8-13(12)17/h8,12H,2-7,9-11H2,1H3,(H,16,18).
What are the key properties of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide?
N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide is sourced from PubChem (CID 66795020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).