2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile

C16H18N2 — CID 82448654

IUPAC2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile
SMILESCc1cc(C)c2c(CC#N)cc(C(C)C)nc2c1
InChIInChI=1S/C16H18N2/c1-10(2)14-9-13(5-6-17)16-12(4)7-11(3)8-15(16)18-14/h7-10H,5H2,1-4H3
InChIKeyNUNYVYZZSLKOEM-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.04
Rot. Bonds2

About 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile

2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile (PubChem CID 82448654) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile
PubChem CID82448654
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile
SMILESCc1cc(C)c2c(CC#N)cc(C(C)C)nc2c1
InChIInChI=1S/C16H18N2/c1-10(2)14-9-13(5-6-17)16-12(4)7-11(3)8-15(16)18-14/h7-10H,5H2,1-4H3
InChIKeyNUNYVYZZSLKOEM-UHFFFAOYSA-N
XLogP4.04
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile?
The IUPAC name of 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile (CID 82448654) is 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile.
What is the SMILES notation for 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile?
The canonical SMILES for 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile is Cc1cc(C)c2c(CC#N)cc(C(C)C)nc2c1.
What is the InChIKey of 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile?
The InChIKey is NUNYVYZZSLKOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-10(2)14-9-13(5-6-17)16-12(4)7-11(3)8-15(16)18-14/h7-10H,5H2,1-4H3.
What are the key properties of 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile?
2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile has a molecular weight of 238.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile is sourced from PubChem (CID 82448654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).