7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline

C15H18N2O — CID 116995296

IUPAC7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
SMILESCOc1ccc2ccnc(CC3CCCN3)c2c1
InChIInChI=1S/C15H18N2O/c1-18-13-5-4-11-6-8-17-15(14(11)10-13)9-12-3-2-7-16-12/h4-6,8,10,12,16H,2-3,7,9H2,1H3
InChIKeyMVXZDKMQQPQWEU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.54
Rot. Bonds3

About 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline

7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline (PubChem CID 116995296) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline.

Molecular Properties

Compound Name7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
PubChem CID116995296
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
SMILESCOc1ccc2ccnc(CC3CCCN3)c2c1
InChIInChI=1S/C15H18N2O/c1-18-13-5-4-11-6-8-17-15(14(11)10-13)9-12-3-2-7-16-12/h4-6,8,10,12,16H,2-3,7,9H2,1H3
InChIKeyMVXZDKMQQPQWEU-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
CID 116995390
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
1-ethyl-7-methoxyisoquinoline
CID 119092688
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
(2S)-2-[(3,5,6-trimethoxyphenanthren-9-yl)methyl]pyrrolidine
CID 71396682
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline?
The IUPAC name of 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline (CID 116995296) is 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline.
What is the SMILES notation for 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline?
The canonical SMILES for 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline is COc1ccc2ccnc(CC3CCCN3)c2c1.
What is the InChIKey of 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline?
The InChIKey is MVXZDKMQQPQWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-13-5-4-11-6-8-17-15(14(11)10-13)9-12-3-2-7-16-12/h4-6,8,10,12,16H,2-3,7,9H2,1H3.
What are the key properties of 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline?
7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline has a molecular weight of 242.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline is sourced from PubChem (CID 116995296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).