6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride

C22H29Cl2NO3 — CID 44530960

IUPAC6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
SMILESCCCc1cc(OC)c(CC2c3cc(O)c(Cl)cc3CCN2C)cc1OC.Cl
InChIInChI=1S/C22H28ClNO3.ClH/c1-5-6-15-11-22(27-4)16(12-21(15)26-3)10-19-17-13-20(25)18(23)9-14(17)7-8-24(19)2;/h9,11-13,19,25H,5-8,10H2,1-4H3;1H
InChIKeyDHFNVHLQBCISLP-UHFFFAOYSA-N
MW426.38 g/mol
LogP5.21
Rot. Bonds6

About 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride

6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride (PubChem CID 44530960) has the molecular formula C22H29Cl2NO3 and a molecular weight of 426.38 g/mol. Its IUPAC name is 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
PubChem CID44530960
Molecular FormulaC22H29Cl2NO3
Molecular Weight426.38 g/mol
Exact Mass425.15
IUPAC Name6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
SMILESCCCc1cc(OC)c(CC2c3cc(O)c(Cl)cc3CCN2C)cc1OC.Cl
InChIInChI=1S/C22H28ClNO3.ClH/c1-5-6-15-11-22(27-4)16(12-21(15)26-3)10-19-17-13-20(25)18(23)9-14(17)7-8-24(19)2;/h9,11-13,19,25H,5-8,10H2,1-4H3;1H
InChIKeyDHFNVHLQBCISLP-UHFFFAOYSA-N
XLogP5.21
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride with MolForge

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Related Compounds

(1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol
CID 10598101
1-[[3-[2-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 162952977
(1S)-6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 6992052
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenyl]phenol
CID 102154059
(1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 10031670
4-[(7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
CID 11666529
(6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-5-hydroxy-4-methoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 102274107
8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11164521
1-[[4-[2-hydroxy-5-(hydroxymethyl)phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 163034539
1-[[4-[2-hydroxy-5-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 78384735
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6-ethoxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol
CID 138744251
1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol;2,2,2-trifluoroacetic acid
CID 11561590

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride?
The IUPAC name of 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride (CID 44530960) is 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride.
What is the SMILES notation for 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride?
The canonical SMILES for 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride is CCCc1cc(OC)c(CC2c3cc(O)c(Cl)cc3CCN2C)cc1OC.Cl.
What is the InChIKey of 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride?
The InChIKey is DHFNVHLQBCISLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO3.ClH/c1-5-6-15-11-22(27-4)16(12-21(15)26-3)10-19-17-13-20(25)18(23)9-14(17)7-8-24(19)2;/h9,11-13,19,25H,5-8,10H2,1-4H3;1H.
What are the key properties of 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride?
6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride has a molecular weight of 426.38 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride is sourced from PubChem (CID 44530960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).