1H-pyrrolo[2,3-g]isoquinoline

C11H8N2 — CID 22622032

IUPAC1H-pyrrolo[2,3-g]isoquinoline
SMILESc1cc2cc3[nH]ccc3cc2cn1
InChIInChI=1S/C11H8N2/c1-3-12-7-10-5-9-2-4-13-11(9)6-8(1)10/h1-7,13H
InChIKeyAWDQDYKOPKYYHK-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.72
Rot. Bonds

About 1H-pyrrolo[2,3-g]isoquinoline

1H-pyrrolo[2,3-g]isoquinoline (PubChem CID 22622032) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-g]isoquinoline.

Molecular Properties

Compound Name1H-pyrrolo[2,3-g]isoquinoline
PubChem CID22622032
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name1H-pyrrolo[2,3-g]isoquinoline
SMILESc1cc2cc3[nH]ccc3cc2cn1
InChIInChI=1S/C11H8N2/c1-3-12-7-10-5-9-2-4-13-11(9)6-8(1)10/h1-7,13H
InChIKeyAWDQDYKOPKYYHK-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
pyridine;1H-pyrrolo[3,2-c]pyridine
CID 160880011
6-pyridin-4-yl-1H-indole
CID 46315865
7-deuterio-1H-pyrrolo[3,2-c]pyridine
CID 59374862
3-bromo-1H-pyrrolo[3,2-g]isoquinoline
CID 177383219
2H-2,6-naphthyridine-3-thione
CID 129305286
7H-pyrrolo[2,3-h]isoquinoline
CID 86733878
4-(1H-indol-5-yloxy)pyridin-3-amine
CID 15053115
(Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine
CID 68803398
6H-cyclopropa[g]isoquinoline
CID 142805400
6-pyrazin-2-yloxy-1H-indole
CID 118649509
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-g]isoquinoline?
The IUPAC name of 1H-pyrrolo[2,3-g]isoquinoline (CID 22622032) is 1H-pyrrolo[2,3-g]isoquinoline.
What is the SMILES notation for 1H-pyrrolo[2,3-g]isoquinoline?
The canonical SMILES for 1H-pyrrolo[2,3-g]isoquinoline is c1cc2cc3[nH]ccc3cc2cn1.
What is the InChIKey of 1H-pyrrolo[2,3-g]isoquinoline?
The InChIKey is AWDQDYKOPKYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-3-12-7-10-5-9-2-4-13-11(9)6-8(1)10/h1-7,13H.
What are the key properties of 1H-pyrrolo[2,3-g]isoquinoline?
1H-pyrrolo[2,3-g]isoquinoline has a molecular weight of 168.20 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-g]isoquinoline is sourced from PubChem (CID 22622032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).