(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

C18H25NO — CID 116598150

IUPAC(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC1CCC(C(=O)C2CCNc3ccccc32)CC1C
InChIInChI=1S/C18H25NO/c1-12-7-8-14(11-13(12)2)18(20)16-9-10-19-17-6-4-3-5-15(16)17/h3-6,12-14,16,19H,7-11H2,1-2H3
InChIKeyGWXIXKFJGFABSG-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.23
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 116598150) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID116598150
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC1CCC(C(=O)C2CCNc3ccccc32)CC1C
InChIInChI=1S/C18H25NO/c1-12-7-8-14(11-13(12)2)18(20)16-9-10-19-17-6-4-3-5-15(16)17/h3-6,12-14,16,19H,7-11H2,1-2H3
InChIKeyGWXIXKFJGFABSG-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone 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

tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone
CID 116594591
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 82726090
1,2,3,4-tetrahydroquinolin-4-yl propanoate
CID 70393820
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
CID 116598165
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 103533053
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 82737827

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 116598150) is (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is CC1CCC(C(=O)C2CCNc3ccccc32)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is GWXIXKFJGFABSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-12-7-8-14(11-13(12)2)18(20)16-9-10-19-17-6-4-3-5-15(16)17/h3-6,12-14,16,19H,7-11H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 271.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 116598150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).