2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile

C19H13N3O — CID 57384028

IUPAC2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile
SMILESCOc1ccc2c(-c3nc4ccccc4cc3C#N)c[nH]c2c1
InChIInChI=1S/C19H13N3O/c1-23-14-6-7-15-16(11-21-18(15)9-14)19-13(10-20)8-12-4-2-3-5-17(12)22-19/h2-9,11,21H,1H3
InChIKeyYDWHKZUXXIWDPQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.26
Rot. Bonds2

About 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile

2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile (PubChem CID 57384028) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile
PubChem CID57384028
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile
SMILESCOc1ccc2c(-c3nc4ccccc4cc3C#N)c[nH]c2c1
InChIInChI=1S/C19H13N3O/c1-23-14-6-7-15-16(11-21-18(15)9-14)19-13(10-20)8-12-4-2-3-5-17(12)22-19/h2-9,11,21H,1H3
InChIKeyYDWHKZUXXIWDPQ-UHFFFAOYSA-N
XLogP4.26
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile (CID 57384028) is 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile is COc1ccc2c(-c3nc4ccccc4cc3C#N)c[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile?
The InChIKey is YDWHKZUXXIWDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-23-14-6-7-15-16(11-21-18(15)9-14)19-13(10-20)8-12-4-2-3-5-17(12)22-19/h2-9,11,21H,1H3.
What are the key properties of 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile?
2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 57384028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).