6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

C18H19NO3 — CID 15690617

IUPAC6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCOc1ccc(CN2CCc3cc4c(cc3C2)OCO4)cc1
InChIInChI=1S/C18H19NO3/c1-20-16-4-2-13(3-5-16)10-19-7-6-14-8-17-18(22-12-21-17)9-15(14)11-19/h2-5,8-9H,6-7,10-12H2,1H3
InChIKeyVLMJDZQHHMSRSZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.98
Rot. Bonds3

About 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 15690617) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID15690617
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCOc1ccc(CN2CCc3cc4c(cc3C2)OCO4)cc1
InChIInChI=1S/C18H19NO3/c1-20-16-4-2-13(3-5-16)10-19-7-6-14-8-17-18(22-12-21-17)9-15(14)11-19/h2-5,8-9H,6-7,10-12H2,1H3
InChIKeyVLMJDZQHHMSRSZ-UHFFFAOYSA-N
XLogP2.98
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-bromophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 73212264
6-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 14306748
CID 11605276
CID 11605276
2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 10248060
6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 2752336
2-(4-methoxyphenyl)-1-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)ethanone
CID 110647096
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
6-methoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline;7-methoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 160987946
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 4901222
4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
CID 102519654
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline (CID 15690617) is 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline is COc1ccc(CN2CCc3cc4c(cc3C2)OCO4)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is VLMJDZQHHMSRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-20-16-4-2-13(3-5-16)10-19-7-6-14-8-17-18(22-12-21-17)9-15(14)11-19/h2-5,8-9H,6-7,10-12H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 297.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 15690617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).