5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile

C22H15N3 — CID 46888047

IUPAC5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile
SMILESCc1ccc2ccc(-c3ccc(-c4cccnc4)c(C#N)c3)cc2n1
InChIInChI=1S/C22H15N3/c1-15-4-5-16-6-7-18(12-22(16)25-15)17-8-9-21(20(11-17)13-23)19-3-2-10-24-14-19/h2-12,14H,1H3
InChIKeyDISGEWVPWGIQEV-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.14
Rot. Bonds2

About 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile

5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile (PubChem CID 46888047) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile
PubChem CID46888047
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile
SMILESCc1ccc2ccc(-c3ccc(-c4cccnc4)c(C#N)c3)cc2n1
InChIInChI=1S/C22H15N3/c1-15-4-5-16-6-7-18(12-22(16)25-15)17-8-9-21(20(11-17)13-23)19-3-2-10-24-14-19/h2-12,14H,1H3
InChIKeyDISGEWVPWGIQEV-UHFFFAOYSA-N
XLogP5.14
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile?
The IUPAC name of 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile (CID 46888047) is 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile?
The canonical SMILES for 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile is Cc1ccc2ccc(-c3ccc(-c4cccnc4)c(C#N)c3)cc2n1.
What is the InChIKey of 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile?
The InChIKey is DISGEWVPWGIQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-15-4-5-16-6-7-18(12-22(16)25-15)17-8-9-21(20(11-17)13-23)19-3-2-10-24-14-19/h2-12,14H,1H3.
What are the key properties of 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile?
5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile has a molecular weight of 321.38 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylquinolin-7-yl)-2-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 46888047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).