2,8-di(propan-2-yl)quinoline-4-carbonitrile

C16H18N2 — CID 82448066

IUPAC2,8-di(propan-2-yl)quinoline-4-carbonitrile
SMILESCC(C)c1cc(C#N)c2cccc(C(C)C)c2n1
InChIInChI=1S/C16H18N2/c1-10(2)13-6-5-7-14-12(9-17)8-15(11(3)4)18-16(13)14/h5-8,10-11H,1-4H3
InChIKeyKFQYRILOOVENDB-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.35
Rot. Bonds2

About 2,8-di(propan-2-yl)quinoline-4-carbonitrile

2,8-di(propan-2-yl)quinoline-4-carbonitrile (PubChem CID 82448066) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,8-di(propan-2-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2,8-di(propan-2-yl)quinoline-4-carbonitrile
PubChem CID82448066
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2,8-di(propan-2-yl)quinoline-4-carbonitrile
SMILESCC(C)c1cc(C#N)c2cccc(C(C)C)c2n1
InChIInChI=1S/C16H18N2/c1-10(2)13-6-5-7-14-12(9-17)8-15(11(3)4)18-16(13)14/h5-8,10-11H,1-4H3
InChIKeyKFQYRILOOVENDB-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
CID 82449685
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
CID 82448088
6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile
CID 82449599
2-bromo-3-propan-2-ylbenzonitrile
CID 131568645
ethane;bis(2-propan-2-ylbenzonitrile)
CID 67297775
8-fluoro-2-methylquinoline-4-carbonitrile
CID 82448796
(2-cyano-6-propan-2-ylphenyl) hypoiodite
CID 154930427
4,5-di(propan-2-yl)benzene-1,2-dicarbonitrile
CID 122607615
5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile
CID 82449450
1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82448872
2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile
CID 63885085

Frequently Asked Questions

What is the IUPAC name of 2,8-di(propan-2-yl)quinoline-4-carbonitrile?
The IUPAC name of 2,8-di(propan-2-yl)quinoline-4-carbonitrile (CID 82448066) is 2,8-di(propan-2-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2,8-di(propan-2-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2,8-di(propan-2-yl)quinoline-4-carbonitrile is CC(C)c1cc(C#N)c2cccc(C(C)C)c2n1.
What is the InChIKey of 2,8-di(propan-2-yl)quinoline-4-carbonitrile?
The InChIKey is KFQYRILOOVENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-10(2)13-6-5-7-14-12(9-17)8-15(11(3)4)18-16(13)14/h5-8,10-11H,1-4H3.
What are the key properties of 2,8-di(propan-2-yl)quinoline-4-carbonitrile?
2,8-di(propan-2-yl)quinoline-4-carbonitrile has a molecular weight of 238.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(propan-2-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 82448066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).