1-(1-methylpyrrol-2-yl)isoquinoline

C14H12N2 — CID 11769704

IUPAC1-(1-methylpyrrol-2-yl)isoquinoline
SMILESCn1cccc1-c1nccc2ccccc12
InChIInChI=1S/C14H12N2/c1-16-10-4-7-13(16)14-12-6-3-2-5-11(12)8-9-15-14/h2-10H,1H3
InChIKeyWLVPGIHBCXXMTO-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.24
Rot. Bonds1

About 1-(1-methylpyrrol-2-yl)isoquinoline

1-(1-methylpyrrol-2-yl)isoquinoline (PubChem CID 11769704) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)isoquinoline.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)isoquinoline
PubChem CID11769704
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-(1-methylpyrrol-2-yl)isoquinoline
SMILESCn1cccc1-c1nccc2ccccc12
InChIInChI=1S/C14H12N2/c1-16-10-4-7-13(16)14-12-6-3-2-5-11(12)8-9-15-14/h2-10H,1H3
InChIKeyWLVPGIHBCXXMTO-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)isoquinoline?
The IUPAC name of 1-(1-methylpyrrol-2-yl)isoquinoline (CID 11769704) is 1-(1-methylpyrrol-2-yl)isoquinoline.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)isoquinoline?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)isoquinoline is Cn1cccc1-c1nccc2ccccc12.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)isoquinoline?
The InChIKey is WLVPGIHBCXXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-16-10-4-7-13(16)14-12-6-3-2-5-11(12)8-9-15-14/h2-10H,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)isoquinoline?
1-(1-methylpyrrol-2-yl)isoquinoline has a molecular weight of 208.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)isoquinoline is sourced from PubChem (CID 11769704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).