1-methoxy-7-pyrrolidin-2-ylisoquinoline

C14H16N2O — CID 117329098

IUPAC1-methoxy-7-pyrrolidin-2-ylisoquinoline
SMILESCOc1nccc2ccc(C3CCCN3)cc12
InChIInChI=1S/C14H16N2O/c1-17-14-12-9-11(13-3-2-7-15-13)5-4-10(12)6-8-16-14/h4-6,8-9,13,15H,2-3,7H2,1H3
InChIKeyPIZAGNBSNFZSAQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.67
Rot. Bonds2

About 1-methoxy-7-pyrrolidin-2-ylisoquinoline

1-methoxy-7-pyrrolidin-2-ylisoquinoline (PubChem CID 117329098) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-methoxy-7-pyrrolidin-2-ylisoquinoline.

Molecular Properties

Compound Name1-methoxy-7-pyrrolidin-2-ylisoquinoline
PubChem CID117329098
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-methoxy-7-pyrrolidin-2-ylisoquinoline
SMILESCOc1nccc2ccc(C3CCCN3)cc12
InChIInChI=1S/C14H16N2O/c1-17-14-12-9-11(13-3-2-7-15-13)5-4-10(12)6-8-16-14/h4-6,8-9,13,15H,2-3,7H2,1H3
InChIKeyPIZAGNBSNFZSAQ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
2-(1-methoxyisoquinolin-7-yl)morpholine
CID 117362678
1-methoxy-6-piperidin-3-ylisoquinoline
CID 117358121
1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline
CID 117394492
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
(2R)-2-(2,3-dihydro-1H-cyclopenta[a]naphthalen-8-yl)pyrrolidine
CID 66519507
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
7-bromo-1-methoxyisoquinoline
CID 67491611
(4-piperidin-2-yl-2-pyridinyl)methanol
CID 84772444

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-pyrrolidin-2-ylisoquinoline?
The IUPAC name of 1-methoxy-7-pyrrolidin-2-ylisoquinoline (CID 117329098) is 1-methoxy-7-pyrrolidin-2-ylisoquinoline.
What is the SMILES notation for 1-methoxy-7-pyrrolidin-2-ylisoquinoline?
The canonical SMILES for 1-methoxy-7-pyrrolidin-2-ylisoquinoline is COc1nccc2ccc(C3CCCN3)cc12.
What is the InChIKey of 1-methoxy-7-pyrrolidin-2-ylisoquinoline?
The InChIKey is PIZAGNBSNFZSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-14-12-9-11(13-3-2-7-15-13)5-4-10(12)6-8-16-14/h4-6,8-9,13,15H,2-3,7H2,1H3.
What are the key properties of 1-methoxy-7-pyrrolidin-2-ylisoquinoline?
1-methoxy-7-pyrrolidin-2-ylisoquinoline has a molecular weight of 228.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-pyrrolidin-2-ylisoquinoline is sourced from PubChem (CID 117329098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).