1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline

C24H20ClNO3 — CID 1351974

IUPAC1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C24H20ClNO3/c1-27-17-10-8-15(9-11-17)21-12-16-13-22(28-2)23(29-3)14-19(16)24(26-21)18-6-4-5-7-20(18)25/h4-14H,1-3H3
InChIKeyISFRBZPKSDMPSB-UHFFFAOYSA-N
MW405.88 g/mol
LogP6.25
Rot. Bonds5

About 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline

1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline (PubChem CID 1351974) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline
PubChem CID1351974
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C24H20ClNO3/c1-27-17-10-8-15(9-11-17)21-12-16-13-22(28-2)23(29-3)14-19(16)24(26-21)18-6-4-5-7-20(18)25/h4-14H,1-3H3
InChIKeyISFRBZPKSDMPSB-UHFFFAOYSA-N
XLogP6.25
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-6,7-dimethoxy-1-methylisoquinoline
CID 25165022
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole
CID 121415645
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
1-(3-chloro-4-methoxyphenyl)-3-pyridin-4-ylisoquinoline
CID 58658850
1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole
CID 14618329
2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline
CID 155387914
1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline
CID 134913602
4-chloro-5,7-dimethoxy-2-phenylquinoline
CID 43668662
5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198750
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline?
The IUPAC name of 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline (CID 1351974) is 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline.
What is the SMILES notation for 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline?
The canonical SMILES for 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline is COc1ccc(-c2cc3cc(OC)c(OC)cc3c(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline?
The InChIKey is ISFRBZPKSDMPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3/c1-27-17-10-8-15(9-11-17)21-12-16-13-22(28-2)23(29-3)14-19(16)24(26-21)18-6-4-5-7-20(18)25/h4-14H,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline?
1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline has a molecular weight of 405.88 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline is sourced from PubChem (CID 1351974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).