(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride

C23H27ClN2O — CID 119704374

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N1Cc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C23H26N2O.ClH/c24-22-17-11-10-16(12-17)21(22)23(26)25-13-18-8-4-5-9-19(18)20(14-25)15-6-2-1-3-7-15;/h1-9,16-17,20-22H,10-14,24H2;1H
InChIKeyZVEBYTTXLHHPIJ-UHFFFAOYSA-N
MW382.94 g/mol
LogP3.96
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride

(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride (PubChem CID 119704374) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
PubChem CID119704374
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N1Cc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C23H26N2O.ClH/c24-22-17-11-10-16(12-17)21(22)23(26)25-13-18-8-4-5-9-19(18)20(14-25)15-6-2-1-3-7-15;/h1-9,16-17,20-22H,10-14,24H2;1H
InChIKeyZVEBYTTXLHHPIJ-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-phenylmorpholin-4-yl)methanone
CID 119703767
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120785642
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenylpiperazin-1-yl)methanone;dihydrochloride
CID 119826840
2-chloro-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96582197
1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 155141140
2-chloro-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71758717
[1-(4-methylbenzoyl)piperidin-3-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 46404619
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119860775
2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 37111198
(3-amino-2-bicyclo[2.2.1]heptanyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119733362
2-(4-ethylsulfonylpiperazin-1-yl)-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86874149
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119826971

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride (CID 119704374) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)N1Cc2ccccc2C(c2ccccc2)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride?
The InChIKey is ZVEBYTTXLHHPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O.ClH/c24-22-17-11-10-16(12-17)21(22)23(26)25-13-18-8-4-5-9-19(18)20(14-25)15-6-2-1-3-7-15;/h1-9,16-17,20-22H,10-14,24H2;1H.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride has a molecular weight of 382.94 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119704374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).