N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide

C18H24N2O2 — CID 2447263

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(NCC(=O)N1CCCc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H24N2O2/c21-17(13-19-18(22)15-8-2-1-3-9-15)20-12-6-10-14-7-4-5-11-16(14)20/h4-5,7,11,15H,1-3,6,8-10,12-13H2,(H,19,22)
InChIKeySPKWXIRTPDWFSM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.66
Rot. Bonds3

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2447263) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2447263
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(NCC(=O)N1CCCc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H24N2O2/c21-17(13-19-18(22)15-8-2-1-3-9-15)20-12-6-10-14-7-4-5-11-16(14)20/h4-5,7,11,15H,1-3,6,8-10,12-13H2,(H,19,22)
InChIKeySPKWXIRTPDWFSM-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide 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-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide (CID 2447263) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide is O=C(NCC(=O)N1CCCc2ccccc21)C1CCCCC1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is SPKWXIRTPDWFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(13-19-18(22)15-8-2-1-3-9-15)20-12-6-10-14-7-4-5-11-16(14)20/h4-5,7,11,15H,1-3,6,8-10,12-13H2,(H,19,22).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2447263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).