3-(4-methoxyphenyl)cinnoline-4-carbonitrile

C16H11N3O — CID 15304780

IUPAC3-(4-methoxyphenyl)cinnoline-4-carbonitrile
SMILESCOc1ccc(-c2nnc3ccccc3c2C#N)cc1
InChIInChI=1S/C16H11N3O/c1-20-12-8-6-11(7-9-12)16-14(10-17)13-4-2-3-5-15(13)18-19-16/h2-9H,1H3
InChIKeyWWKGHZMEIARHOL-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.18
Rot. Bonds2

About 3-(4-methoxyphenyl)cinnoline-4-carbonitrile

3-(4-methoxyphenyl)cinnoline-4-carbonitrile (PubChem CID 15304780) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)cinnoline-4-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxyphenyl)cinnoline-4-carbonitrile
PubChem CID15304780
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-(4-methoxyphenyl)cinnoline-4-carbonitrile
SMILESCOc1ccc(-c2nnc3ccccc3c2C#N)cc1
InChIInChI=1S/C16H11N3O/c1-20-12-8-6-11(7-9-12)16-14(10-17)13-4-2-3-5-15(13)18-19-16/h2-9H,1H3
InChIKeyWWKGHZMEIARHOL-UHFFFAOYSA-N
XLogP3.18
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 118443998
CID 118443998
CID 560720
CID 560720
CID 6404526
CID 6404526
CID 9901502
CID 9901502
CID 10112167
CID 10112167
CID 10178057
CID 10178057
CID 10294943
CID 10294943
CID 2881553
CID 2881553
CID 6407038
CID 6407038
CID 6404530
CID 6404530
CID 12113842
CID 12113842
CID 18760039
CID 18760039

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)cinnoline-4-carbonitrile?
The IUPAC name of 3-(4-methoxyphenyl)cinnoline-4-carbonitrile (CID 15304780) is 3-(4-methoxyphenyl)cinnoline-4-carbonitrile.
What is the SMILES notation for 3-(4-methoxyphenyl)cinnoline-4-carbonitrile?
The canonical SMILES for 3-(4-methoxyphenyl)cinnoline-4-carbonitrile is COc1ccc(-c2nnc3ccccc3c2C#N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)cinnoline-4-carbonitrile?
The InChIKey is WWKGHZMEIARHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-20-12-8-6-11(7-9-12)16-14(10-17)13-4-2-3-5-15(13)18-19-16/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)cinnoline-4-carbonitrile?
3-(4-methoxyphenyl)cinnoline-4-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)cinnoline-4-carbonitrile is sourced from PubChem (CID 15304780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).