4-tert-butyl-6-methylquinoline-3-carbonitrile

C15H16N2 — CID 105482297

IUPAC4-tert-butyl-6-methylquinoline-3-carbonitrile
SMILESCc1ccc2ncc(C#N)c(C(C)(C)C)c2c1
InChIInChI=1S/C15H16N2/c1-10-5-6-13-12(7-10)14(15(2,3)4)11(8-16)9-17-13/h5-7,9H,1-4H3
InChIKeyUXBXDAYCBQUQBD-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.71
Rot. Bonds

About 4-tert-butyl-6-methylquinoline-3-carbonitrile

4-tert-butyl-6-methylquinoline-3-carbonitrile (PubChem CID 105482297) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-tert-butyl-6-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-6-methylquinoline-3-carbonitrile
PubChem CID105482297
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4-tert-butyl-6-methylquinoline-3-carbonitrile
SMILESCc1ccc2ncc(C#N)c(C(C)(C)C)c2c1
InChIInChI=1S/C15H16N2/c1-10-5-6-13-12(7-10)14(15(2,3)4)11(8-16)9-17-13/h5-7,9H,1-4H3
InChIKeyUXBXDAYCBQUQBD-UHFFFAOYSA-N
XLogP3.71
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-phenylquinoline-3-carbonitrile
CID 141436065
3-methylquinoline-5-carbonitrile
CID 23510421
1-amino-6-methylisoquinoline-4-carbonitrile
CID 84659038
5-tert-butyl-4,6-bis(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 139550443
1-(3-cyano-6-methylquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064366
6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055600
6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 45283848
9-tert-butyl-2,3,7-trimethylacridine
CID 157493944
5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile
CID 71823826
2-[(3-cyano-6-methylquinolin-4-yl)amino]benzoic acid
CID 167600659
4-tert-butyl-7-methylquinolin-3-amine
CID 105468035
2-chloro-6-methylquinoline-4-carbonitrile
CID 83638097

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methylquinoline-3-carbonitrile?
The IUPAC name of 4-tert-butyl-6-methylquinoline-3-carbonitrile (CID 105482297) is 4-tert-butyl-6-methylquinoline-3-carbonitrile.
What is the SMILES notation for 4-tert-butyl-6-methylquinoline-3-carbonitrile?
The canonical SMILES for 4-tert-butyl-6-methylquinoline-3-carbonitrile is Cc1ccc2ncc(C#N)c(C(C)(C)C)c2c1.
What is the InChIKey of 4-tert-butyl-6-methylquinoline-3-carbonitrile?
The InChIKey is UXBXDAYCBQUQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-10-5-6-13-12(7-10)14(15(2,3)4)11(8-16)9-17-13/h5-7,9H,1-4H3.
What are the key properties of 4-tert-butyl-6-methylquinoline-3-carbonitrile?
4-tert-butyl-6-methylquinoline-3-carbonitrile has a molecular weight of 224.31 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methylquinoline-3-carbonitrile is sourced from PubChem (CID 105482297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).