4-(1H-pyrrol-3-yl)isoquinoline

C13H10N2 — CID 59724469

IUPAC4-(1H-pyrrol-3-yl)isoquinoline
SMILESc1ccc2c(-c3cc[nH]c3)cncc2c1
InChIInChI=1S/C13H10N2/c1-2-4-12-10(3-1)8-15-9-13(12)11-5-6-14-7-11/h1-9,14H
InChIKeyODLVWVNOESFJNF-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.23
Rot. Bonds1

About 4-(1H-pyrrol-3-yl)isoquinoline

4-(1H-pyrrol-3-yl)isoquinoline (PubChem CID 59724469) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)isoquinoline.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)isoquinoline
PubChem CID59724469
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name4-(1H-pyrrol-3-yl)isoquinoline
SMILESc1ccc2c(-c3cc[nH]c3)cncc2c1
InChIInChI=1S/C13H10N2/c1-2-4-12-10(3-1)8-15-9-13(12)11-5-6-14-7-11/h1-9,14H
InChIKeyODLVWVNOESFJNF-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-naphthalen-1-yl-1H-pyrrole
CID 19602051
2H-indeno[1,2-c]pyridine
CID 54326183
8-(1H-pyrrol-3-yl)isoquinoline
CID 58813488
3-isoquinolin-4-ylaniline
CID 22724137
5-isoquinolin-4-ylpyridine-2-carboxylic acid
CID 63938378
6-isoquinolin-4-yl-1H-pyridine-2-thione
CID 106518044
7-isoquinolin-4-yl-1H-quinolin-2-one
CID 167814827
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582410
4-(1-benzothiophen-5-yl)isoquinoline
CID 86224261
4-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582428
CID 140795099
CID 140795099
4-isoquinolin-4-yl-2H-phthalazin-1-one
CID 106518041

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)isoquinoline?
The IUPAC name of 4-(1H-pyrrol-3-yl)isoquinoline (CID 59724469) is 4-(1H-pyrrol-3-yl)isoquinoline.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)isoquinoline?
The canonical SMILES for 4-(1H-pyrrol-3-yl)isoquinoline is c1ccc2c(-c3cc[nH]c3)cncc2c1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)isoquinoline?
The InChIKey is ODLVWVNOESFJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-4-12-10(3-1)8-15-9-13(12)11-5-6-14-7-11/h1-9,14H.
What are the key properties of 4-(1H-pyrrol-3-yl)isoquinoline?
4-(1H-pyrrol-3-yl)isoquinoline has a molecular weight of 194.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)isoquinoline is sourced from PubChem (CID 59724469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).