(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone

C18H21NO2 — CID 116748456

IUPAC(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone
SMILESCCOC1(C(=O)c2cccc3cnccc23)CCCCC1
InChIInChI=1S/C18H21NO2/c1-2-21-18(10-4-3-5-11-18)17(20)16-8-6-7-14-13-19-12-9-15(14)16/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyVKLFSKDPKYQQFV-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.16
Rot. Bonds4

About (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone

(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone (PubChem CID 116748456) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone
PubChem CID116748456
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone
SMILESCCOC1(C(=O)c2cccc3cnccc23)CCCCC1
InChIInChI=1S/C18H21NO2/c1-2-21-18(10-4-3-5-11-18)17(20)16-8-6-7-14-13-19-12-9-15(14)16/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyVKLFSKDPKYQQFV-UHFFFAOYSA-N
XLogP4.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone
CID 116747833
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
isoquinolin-8-yl-(4-methoxyoxan-4-yl)methanone
CID 103143395
1-isoquinolin-5-yl-2-methoxybutan-1-one
CID 116707361
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
N,N-diethylisoquinoline-5-carboxamide
CID 86202974
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116747862
(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
CID 116747778
(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone
CID 116579730
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone?
The IUPAC name of (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone (CID 116748456) is (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone.
What is the SMILES notation for (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone?
The canonical SMILES for (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone is CCOC1(C(=O)c2cccc3cnccc23)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone?
The InChIKey is VKLFSKDPKYQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-21-18(10-4-3-5-11-18)17(20)16-8-6-7-14-13-19-12-9-15(14)16/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone?
(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone has a molecular weight of 283.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone is sourced from PubChem (CID 116748456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).