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

C18H19NO2 — CID 116598113

IUPAC(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCOc1ccc(C(=O)C2CCNc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-2-21-14-9-7-13(8-10-14)18(20)16-11-12-19-17-6-4-3-5-15(16)17/h3-10,16,19H,2,11-12H2,1H3
InChIKeyDHOUWAPBKDIXNE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.87
Rot. Bonds4

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

(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 116598113) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID116598113
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCOc1ccc(C(=O)C2CCNc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-2-21-14-9-7-13(8-10-14)18(20)16-11-12-19-17-6-4-3-5-15(16)17/h3-10,16,19H,2,11-12H2,1H3
InChIKeyDHOUWAPBKDIXNE-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethoxyphenyl)-(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

(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
1,2,3,4-tetrahydroquinolin-4-yl propanoate
CID 70393820
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
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
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598214
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 106202949
(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 103533053

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 116598113) is (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is CCOc1ccc(C(=O)C2CCNc3ccccc32)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is DHOUWAPBKDIXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-21-14-9-7-13(8-10-14)18(20)16-11-12-19-17-6-4-3-5-15(16)17/h3-10,16,19H,2,11-12H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 116598113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).