5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride

C20H21Cl2NO — CID 134133604

IUPAC5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.O=C1c2ccc(Cl)cc2CC1CCN1CCc2ccccc2C1
InChIInChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
InChIKeyCDKCTEJHUVKKNR-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.57
Rot. Bonds3

About 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride

5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 134133604) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
PubChem CID134133604
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC Name5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.O=C1c2ccc(Cl)cc2CC1CCN1CCc2ccccc2C1
InChIInChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
InChIKeyCDKCTEJHUVKKNR-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride with MolForge

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Related Compounds

5-chloro-3-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2,3-dihydroinden-1-one
CID 23726012
3-[1-[(1-butylpyrrolidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-chloro-2,3-dihydroinden-1-one iodide
CID 76284236
2-(1-Benzyl-piperidin-4-ylmethyl)-indan-1-one; hydrochloride
CID 9797115
2-[(1-Benzylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one;hydrochloride
CID 9928611
2-[2-(1-Benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
CID 10109683
1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 91864602
1-(4-Chlorophenyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one;hydrochloride
CID 134141354
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
CID 134151427
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-fluoro-2,3-dihydroinden-1-one
CID 134155116
2-Chloro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indol-5-one (33)
CID 129012333
6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 45261787
5-chloro-3-[1-[(1-prop-2-enylpyrrolidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2,3-dihydroinden-1-one bromide
CID 76283972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride (CID 134133604) is 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride is Cl.O=C1c2ccc(Cl)cc2CC1CCN1CCc2ccccc2C1.
What is the InChIKey of 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is CDKCTEJHUVKKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H.
What are the key properties of 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride?
5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 134133604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).