2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone

C19H15NO — CID 103134049

IUPAC2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)c1cccc2ccncc12
InChIInChI=1S/C19H15NO/c21-19(16-8-7-13-3-1-5-15(13)11-16)17-6-2-4-14-9-10-20-12-18(14)17/h2,4,6-12H,1,3,5H2
InChIKeyAZQPYCAJPDWXPH-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.95
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone

2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone (PubChem CID 103134049) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone
PubChem CID103134049
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)c1cccc2ccncc12
InChIInChI=1S/C19H15NO/c21-19(16-8-7-13-3-1-5-15(13)11-16)17-6-2-4-14-9-10-20-12-18(14)17/h2,4,6-12H,1,3,5H2
InChIKeyAZQPYCAJPDWXPH-UHFFFAOYSA-N
XLogP3.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-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-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
CID 103132930
isoquinolin-8-yl-(4-methylsulfanylphenyl)methanone
CID 103134158
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanone
CID 43338936
isoquinoline-8-carboxylate
CID 86306452
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
isoquinolin-8-yl(thiophen-2-yl)methanone
CID 103133963
cyclohexyl(isoquinolin-8-yl)methanone
CID 103134088
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
(5-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanone
CID 103133962

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone (CID 103134049) is 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone is O=C(c1ccc2c(c1)CCC2)c1cccc2ccncc12.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone?
The InChIKey is AZQPYCAJPDWXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c21-19(16-8-7-13-3-1-5-15(13)11-16)17-6-2-4-14-9-10-20-12-18(14)17/h2,4,6-12H,1,3,5H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone?
2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone is sourced from PubChem (CID 103134049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).