7-methoxy-1-phenylisoquinoline

C16H13NO — CID 86087026

IUPAC7-methoxy-1-phenylisoquinoline
SMILESCOc1ccc2ccnc(-c3ccccc3)c2c1
InChIInChI=1S/C16H13NO/c1-18-14-8-7-12-9-10-17-16(15(12)11-14)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyLKDXZJZIJQZRJC-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.91
Rot. Bonds2

About 7-methoxy-1-phenylisoquinoline

7-methoxy-1-phenylisoquinoline (PubChem CID 86087026) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-methoxy-1-phenylisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-phenylisoquinoline
PubChem CID86087026
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name7-methoxy-1-phenylisoquinoline
SMILESCOc1ccc2ccnc(-c3ccccc3)c2c1
InChIInChI=1S/C16H13NO/c1-18-14-8-7-12-9-10-17-16(15(12)11-14)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyLKDXZJZIJQZRJC-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine
CID 116995305
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
1-chloroisoquinoline;1-(3-methoxyphenyl)isoquinoline
CID 175032072
1-ethyl-7-methoxyisoquinoline
CID 119092688
3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
CID 122443315
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
7,8-dimethoxy-1-phenylisoquinoline
CID 134913622
1-isoquinolin-1-yl-3-(4-methoxyphenyl)isoquinoline
CID 175029706
carbanide;iridium;1-phenylisoquinoline
CID 166502152
4-ethyl-6-methoxy-2,3-diphenylquinoline
CID 22395291
2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
CID 133095598
5,6,7-trimethoxy-1-phenylisoquinoline
CID 134913791

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-phenylisoquinoline?
The IUPAC name of 7-methoxy-1-phenylisoquinoline (CID 86087026) is 7-methoxy-1-phenylisoquinoline.
What is the SMILES notation for 7-methoxy-1-phenylisoquinoline?
The canonical SMILES for 7-methoxy-1-phenylisoquinoline is COc1ccc2ccnc(-c3ccccc3)c2c1.
What is the InChIKey of 7-methoxy-1-phenylisoquinoline?
The InChIKey is LKDXZJZIJQZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-18-14-8-7-12-9-10-17-16(15(12)11-14)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 7-methoxy-1-phenylisoquinoline?
7-methoxy-1-phenylisoquinoline has a molecular weight of 235.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-phenylisoquinoline is sourced from PubChem (CID 86087026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).