(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone

C20H21NO3 — CID 166188810

IUPAC(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone
SMILESC=Cc1ccc(C(=O)N2CCc3c(ccc(OC)c3OC)C2)cc1
InChIInChI=1S/C20H21NO3/c1-4-14-5-7-15(8-6-14)20(22)21-12-11-17-16(13-21)9-10-18(23-2)19(17)24-3/h4-10H,1,11-13H2,2-3H3
InChIKeyHXQYSIAFAODNMU-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.55
Rot. Bonds4

About (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone

(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone (PubChem CID 166188810) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone.

Molecular Properties

Compound Name(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone
PubChem CID166188810
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone
SMILESC=Cc1ccc(C(=O)N2CCc3c(ccc(OC)c3OC)C2)cc1
InChIInChI=1S/C20H21NO3/c1-4-14-5-7-15(8-6-14)20(22)21-12-11-17-16(13-21)9-10-18(23-2)19(17)24-3/h4-10H,1,11-13H2,2-3H3
InChIKeyHXQYSIAFAODNMU-UHFFFAOYSA-N
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-(5-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 172889249
1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 174605391
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide
CID 71898676
1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one
CID 20722123
[4-(aminomethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119266159
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-ethoxy-4-methoxyphenyl)methanone
CID 38409242
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-quinoxalin-6-ylmethanone
CID 110690549
2-chloro-1-(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166415824
6-methoxy-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carbaldehyde
CID 86683413

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone?
The IUPAC name of (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone (CID 166188810) is (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone.
What is the SMILES notation for (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone?
The canonical SMILES for (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone is C=Cc1ccc(C(=O)N2CCc3c(ccc(OC)c3OC)C2)cc1.
What is the InChIKey of (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone?
The InChIKey is HXQYSIAFAODNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-14-5-7-15(8-6-14)20(22)21-12-11-17-16(13-21)9-10-18(23-2)19(17)24-3/h4-10H,1,11-13H2,2-3H3.
What are the key properties of (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone?
(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone has a molecular weight of 323.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone is sourced from PubChem (CID 166188810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).