isoquinolin-8-yl-(4-propylcyclohexyl)methanone

C19H23NO — CID 103143308

IUPACisoquinolin-8-yl-(4-propylcyclohexyl)methanone
SMILESCCCC1CCC(C(=O)c2cccc3ccncc23)CC1
InChIInChI=1S/C19H23NO/c1-2-4-14-7-9-16(10-8-14)19(21)17-6-3-5-15-11-12-20-13-18(15)17/h3,5-6,11-14,16H,2,4,7-10H2,1H3
InChIKeyUWLYNTFZFFYAAL-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.02
Rot. Bonds4

About isoquinolin-8-yl-(4-propylcyclohexyl)methanone

isoquinolin-8-yl-(4-propylcyclohexyl)methanone (PubChem CID 103143308) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is isoquinolin-8-yl-(4-propylcyclohexyl)methanone.

Molecular Properties

Compound Nameisoquinolin-8-yl-(4-propylcyclohexyl)methanone
PubChem CID103143308
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Nameisoquinolin-8-yl-(4-propylcyclohexyl)methanone
SMILESCCCC1CCC(C(=O)c2cccc3ccncc23)CC1
InChIInChI=1S/C19H23NO/c1-2-4-14-7-9-16(10-8-14)19(21)17-6-3-5-15-11-12-20-13-18(15)17/h3,5-6,11-14,16H,2,4,7-10H2,1H3
InChIKeyUWLYNTFZFFYAAL-UHFFFAOYSA-N
XLogP5.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(isoquinolin-8-yl)methanone
CID 103134088
(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707627
8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone
CID 171941830
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
3-ethyl-1-isoquinolin-8-ylpent-2-en-1-one
CID 103458880
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
isoquinoline-8-carboxylate
CID 86306452
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
CID 103168190
(4-propylcyclohexyl)-quinolin-7-ylmethanone
CID 81197348
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(4-propylcyclohexyl)methanone?
The IUPAC name of isoquinolin-8-yl-(4-propylcyclohexyl)methanone (CID 103143308) is isoquinolin-8-yl-(4-propylcyclohexyl)methanone.
What is the SMILES notation for isoquinolin-8-yl-(4-propylcyclohexyl)methanone?
The canonical SMILES for isoquinolin-8-yl-(4-propylcyclohexyl)methanone is CCCC1CCC(C(=O)c2cccc3ccncc23)CC1.
What is the InChIKey of isoquinolin-8-yl-(4-propylcyclohexyl)methanone?
The InChIKey is UWLYNTFZFFYAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-4-14-7-9-16(10-8-14)19(21)17-6-3-5-15-11-12-20-13-18(15)17/h3,5-6,11-14,16H,2,4,7-10H2,1H3.
What are the key properties of isoquinolin-8-yl-(4-propylcyclohexyl)methanone?
isoquinolin-8-yl-(4-propylcyclohexyl)methanone has a molecular weight of 281.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(4-propylcyclohexyl)methanone is sourced from PubChem (CID 103143308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).