7-methoxy-1-pyrrolidin-3-ylisoquinoline

C14H16N2O — CID 116995292

IUPAC7-methoxy-1-pyrrolidin-3-ylisoquinoline
SMILESCOc1ccc2ccnc(C3CCNC3)c2c1
InChIInChI=1S/C14H16N2O/c1-17-12-3-2-10-5-7-16-14(13(10)8-12)11-4-6-15-9-11/h2-3,5,7-8,11,15H,4,6,9H2,1H3
InChIKeyVQVKFCXOMHHGAP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.32
Rot. Bonds2

About 7-methoxy-1-pyrrolidin-3-ylisoquinoline

7-methoxy-1-pyrrolidin-3-ylisoquinoline (PubChem CID 116995292) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 7-methoxy-1-pyrrolidin-3-ylisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-pyrrolidin-3-ylisoquinoline
PubChem CID116995292
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name7-methoxy-1-pyrrolidin-3-ylisoquinoline
SMILESCOc1ccc2ccnc(C3CCNC3)c2c1
InChIInChI=1S/C14H16N2O/c1-17-12-3-2-10-5-7-16-14(13(10)8-12)11-4-6-15-9-11/h2-3,5,7-8,11,15H,4,6,9H2,1H3
InChIKeyVQVKFCXOMHHGAP-UHFFFAOYSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995308
6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 116995476
7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
1-piperidin-3-ylisoquinoline
CID 84782419
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
CID 117316343
4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine
CID 116995399
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid
CID 116995318
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-pyrrolidin-3-ylisoquinoline?
The IUPAC name of 7-methoxy-1-pyrrolidin-3-ylisoquinoline (CID 116995292) is 7-methoxy-1-pyrrolidin-3-ylisoquinoline.
What is the SMILES notation for 7-methoxy-1-pyrrolidin-3-ylisoquinoline?
The canonical SMILES for 7-methoxy-1-pyrrolidin-3-ylisoquinoline is COc1ccc2ccnc(C3CCNC3)c2c1.
What is the InChIKey of 7-methoxy-1-pyrrolidin-3-ylisoquinoline?
The InChIKey is VQVKFCXOMHHGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-12-3-2-10-5-7-16-14(13(10)8-12)11-4-6-15-9-11/h2-3,5,7-8,11,15H,4,6,9H2,1H3.
What are the key properties of 7-methoxy-1-pyrrolidin-3-ylisoquinoline?
7-methoxy-1-pyrrolidin-3-ylisoquinoline has a molecular weight of 228.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-pyrrolidin-3-ylisoquinoline is sourced from PubChem (CID 116995292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).