3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile

C15H16N2O2 — CID 82245508

IUPAC3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile
SMILESCOc1cc(OC)c2nc(CC(C)C#N)ccc2c1
InChIInChI=1S/C15H16N2O2/c1-10(9-16)6-12-5-4-11-7-13(18-2)8-14(19-3)15(11)17-12/h4-5,7-8,10H,6H2,1-3H3
InChIKeyHQXHKANZOIJRIP-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.95
Rot. Bonds4

About 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile

3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile (PubChem CID 82245508) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile
PubChem CID82245508
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile
SMILESCOc1cc(OC)c2nc(CC(C)C#N)ccc2c1
InChIInChI=1S/C15H16N2O2/c1-10(9-16)6-12-5-4-11-7-13(18-2)8-14(19-3)15(11)17-12/h4-5,7-8,10H,6H2,1-3H3
InChIKeyHQXHKANZOIJRIP-UHFFFAOYSA-N
XLogP2.95
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dimethoxy-2-methylquinoline
CID 14936500
3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile
CID 82246749
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
CID 84625416
3-(4-methoxyphenoxy)-2-methylpropanenitrile
CID 43367443
2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
4-chloro-2-ethyl-6,8-dimethoxyquinoline
CID 43668808
(6,8-dimethoxy-2-methylquinolin-3-yl)methanamine
CID 82242916
1-(6,8-dimethoxy-2-methylquinolin-3-yl)-N-methylmethanamine
CID 82244248
2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 43344273
2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
CID 156872967

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile (CID 82245508) is 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile is COc1cc(OC)c2nc(CC(C)C#N)ccc2c1.
What is the InChIKey of 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile?
The InChIKey is HQXHKANZOIJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(9-16)6-12-5-4-11-7-13(18-2)8-14(19-3)15(11)17-12/h4-5,7-8,10H,6H2,1-3H3.
What are the key properties of 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile?
3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile has a molecular weight of 256.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethoxyquinolin-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 82245508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).