5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile

C24H18N2O — CID 46888005

IUPAC5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile
SMILESCc1ccc2ccc(-c3ccc(OCc4ccccc4)c(C#N)c3)cc2n1
InChIInChI=1S/C24H18N2O/c1-17-7-8-19-9-10-21(14-23(19)26-17)20-11-12-24(22(13-20)15-25)27-16-18-5-3-2-4-6-18/h2-14H,16H2,1H3
InChIKeyINOCIGKWKFGOCI-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.66
Rot. Bonds4

About 5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile

5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile (PubChem CID 46888005) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile
PubChem CID46888005
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile
SMILESCc1ccc2ccc(-c3ccc(OCc4ccccc4)c(C#N)c3)cc2n1
InChIInChI=1S/C24H18N2O/c1-17-7-8-19-9-10-21(14-23(19)26-17)20-11-12-24(22(13-20)15-25)27-16-18-5-3-2-4-6-18/h2-14H,16H2,1H3
InChIKeyINOCIGKWKFGOCI-UHFFFAOYSA-N
XLogP5.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.66
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-phenylmethoxybenzonitrile?
The IUPAC name of 5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile (CID 46888005) is 5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile.
What is the SMILES notation for 5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile?
The canonical SMILES for 5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile is Cc1ccc2ccc(-c3ccc(OCc4ccccc4)c(C#N)c3)cc2n1.
What is the InChIKey of 5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile?
The InChIKey is INOCIGKWKFGOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-17-7-8-19-9-10-21(14-23(19)26-17)20-11-12-24(22(13-20)15-25)27-16-18-5-3-2-4-6-18/h2-14H,16H2,1H3.
What are the key properties of 5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile?
5-(2-methylquinolin-7-yl)-2-phenylmethoxybenzonitrile has a molecular weight of 350.42 g/mol, XLogP of 5.66, 4 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-phenylmethoxybenzonitrile is sourced from PubChem (CID 46888005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).