7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol

C18H16ClNO — CID 174908625

IUPAC7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol
SMILESCc1nc(C)c2cc(Cc3ccccc3Cl)ccc2c1O
InChIInChI=1S/C18H16ClNO/c1-11-16-10-13(9-14-5-3-4-6-17(14)19)7-8-15(16)18(21)12(2)20-11/h3-8,10,21H,9H2,1-2H3
InChIKeyFRPHSDBRWGFYEM-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.80
Rot. Bonds2

About 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol

7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol (PubChem CID 174908625) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol
PubChem CID174908625
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol
SMILESCc1nc(C)c2cc(Cc3ccccc3Cl)ccc2c1O
InChIInChI=1S/C18H16ClNO/c1-11-16-10-13(9-14-5-3-4-6-17(14)19)7-8-15(16)18(21)12(2)20-11/h3-8,10,21H,9H2,1-2H3
InChIKeyFRPHSDBRWGFYEM-UHFFFAOYSA-N
XLogP4.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(2-chlorophenyl)methyl]-1,3-dimethyl-4-phenylmethoxyisoquinoline
CID 174908068
4-[(2-chlorophenyl)methyl]benzene-1,2-diol
CID 44634400
3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
CID 139758970
2-(1,3-benzothiazol-2-yl)-4-[(2-chlorophenyl)methyl]phenol
CID 2210450
[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
CID 67736317
2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol
CID 4010995
methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate
CID 145376874
4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol
CID 139609307
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
3-[2-[(3,4-dichlorophenyl)methyl]phenyl]prop-2-enoic acid
CID 70229565
4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
2-[(2-chlorophenyl)methyl]-6-methylpyrazine
CID 70937873

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol?
The IUPAC name of 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol (CID 174908625) is 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol.
What is the SMILES notation for 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol?
The canonical SMILES for 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol is Cc1nc(C)c2cc(Cc3ccccc3Cl)ccc2c1O.
What is the InChIKey of 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol?
The InChIKey is FRPHSDBRWGFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-11-16-10-13(9-14-5-3-4-6-17(14)19)7-8-15(16)18(21)12(2)20-11/h3-8,10,21H,9H2,1-2H3.
What are the key properties of 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol?
7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol has a molecular weight of 297.79 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methyl]-1,3-dimethylisoquinolin-4-ol is sourced from PubChem (CID 174908625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).