2-(3H-inden-1-yl)-1H-isoquinoline

C18H15N — CID 174459592

IUPAC2-(3H-inden-1-yl)-1H-isoquinoline
SMILESC1=CN(C2=CCc3ccccc32)Cc2ccccc21
InChIInChI=1S/C18H15N/c1-2-7-16-13-19(12-11-14(16)5-1)18-10-9-15-6-3-4-8-17(15)18/h1-8,10-12H,9,13H2
InChIKeyMTMNMHMDAXAEPL-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.07
Rot. Bonds1

About 2-(3H-inden-1-yl)-1H-isoquinoline

2-(3H-inden-1-yl)-1H-isoquinoline (PubChem CID 174459592) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3H-inden-1-yl)-1H-isoquinoline.

Molecular Properties

Compound Name2-(3H-inden-1-yl)-1H-isoquinoline
PubChem CID174459592
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name2-(3H-inden-1-yl)-1H-isoquinoline
SMILESC1=CN(C2=CCc3ccccc32)Cc2ccccc21
InChIInChI=1S/C18H15N/c1-2-7-16-13-19(12-11-14(16)5-1)18-10-9-15-6-3-4-8-17(15)18/h1-8,10-12H,9,13H2
InChIKeyMTMNMHMDAXAEPL-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

iridium;tris(2-phenyl-1H-isoquinoline)
CID 158402559
8H-isoquinolino[1,2-b]quinazoline
CID 132503377
2-methyl-1H-isoquinoline;hydrochloride
CID 173000656
2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline
CID 152758606
4H-benzo[a]quinolizine-3-carboxylic acid
CID 135314294
4H-benzo[a]quinolizine-3-carboxamide
CID 140524900
N-methyl-1H-isoquinolin-2-amine
CID 89267020
2-(1H-isoquinolin-2-yl)acetamide
CID 22641902
ethane;2-propan-2-yl-1H-isoquinoline;yttrium
CID 160548203
1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
1-(1H-isoquinolin-2-yl)prop-1-en-1-ol
CID 67836198

Frequently Asked Questions

What is the IUPAC name of 2-(3H-inden-1-yl)-1H-isoquinoline?
The IUPAC name of 2-(3H-inden-1-yl)-1H-isoquinoline (CID 174459592) is 2-(3H-inden-1-yl)-1H-isoquinoline.
What is the SMILES notation for 2-(3H-inden-1-yl)-1H-isoquinoline?
The canonical SMILES for 2-(3H-inden-1-yl)-1H-isoquinoline is C1=CN(C2=CCc3ccccc32)Cc2ccccc21.
What is the InChIKey of 2-(3H-inden-1-yl)-1H-isoquinoline?
The InChIKey is MTMNMHMDAXAEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-2-7-16-13-19(12-11-14(16)5-1)18-10-9-15-6-3-4-8-17(15)18/h1-8,10-12H,9,13H2.
What are the key properties of 2-(3H-inden-1-yl)-1H-isoquinoline?
2-(3H-inden-1-yl)-1H-isoquinoline has a molecular weight of 245.33 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-1-yl)-1H-isoquinoline is sourced from PubChem (CID 174459592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).