8-methoxy-2-propan-2-ylquinoline-4-carbonitrile

C14H14N2O — CID 82449685

IUPAC8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
SMILESCOc1cccc2c(C#N)cc(C(C)C)nc12
InChIInChI=1S/C14H14N2O/c1-9(2)12-7-10(8-15)11-5-4-6-13(17-3)14(11)16-12/h4-7,9H,1-3H3
InChIKeyGORWTOKVAHHQAK-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.24
Rot. Bonds2

About 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile

8-methoxy-2-propan-2-ylquinoline-4-carbonitrile (PubChem CID 82449685) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile.

Molecular Properties

Compound Name8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
PubChem CID82449685
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
SMILESCOc1cccc2c(C#N)cc(C(C)C)nc12
InChIInChI=1S/C14H14N2O/c1-9(2)12-7-10(8-15)11-5-4-6-13(17-3)14(11)16-12/h4-7,9H,1-3H3
InChIKeyGORWTOKVAHHQAK-UHFFFAOYSA-N
XLogP3.24
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-di(propan-2-yl)quinoline-4-carbonitrile
CID 82448066
4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile
CID 82242563
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile
CID 82449599
2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
CID 63886061
7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 69372063
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
CID 69374001
6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile?
The IUPAC name of 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile (CID 82449685) is 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile.
What is the SMILES notation for 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile?
The canonical SMILES for 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile is COc1cccc2c(C#N)cc(C(C)C)nc12.
What is the InChIKey of 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile?
The InChIKey is GORWTOKVAHHQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(2)12-7-10(8-15)11-5-4-6-13(17-3)14(11)16-12/h4-7,9H,1-3H3.
What are the key properties of 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile?
8-methoxy-2-propan-2-ylquinoline-4-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-propan-2-ylquinoline-4-carbonitrile is sourced from PubChem (CID 82449685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).