4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile

C13H13N3O — CID 82242563

IUPAC4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile
SMILESCOc1cccc2c(N(C)C)cc(C#N)nc12
InChIInChI=1S/C13H13N3O/c1-16(2)11-7-9(8-14)15-13-10(11)5-4-6-12(13)17-3/h4-7H,1-3H3
InChIKeyDUZBHWLJWMLVPS-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.18
Rot. Bonds2

About 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile

4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile (PubChem CID 82242563) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile
PubChem CID82242563
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile
SMILESCOc1cccc2c(N(C)C)cc(C#N)nc12
InChIInChI=1S/C13H13N3O/c1-16(2)11-7-9(8-14)15-13-10(11)5-4-6-12(13)17-3/h4-7H,1-3H3
InChIKeyDUZBHWLJWMLVPS-UHFFFAOYSA-N
XLogP2.18
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82244171
8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
CID 82449685
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544248
2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one
CID 136981745
4-chloro-8-methoxycinnoline-3-carbonitrile
CID 83889131
5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile
CID 82244207
2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid
CID 122048748
N-(2-ethoxyethyl)-8-methoxy-N,2-dimethylquinolin-4-amine
CID 133445379
2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetonitrile
CID 22695403
6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
CID 115142865
2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile
CID 39356939

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile?
The IUPAC name of 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile (CID 82242563) is 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile is COc1cccc2c(N(C)C)cc(C#N)nc12.
What is the InChIKey of 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile?
The InChIKey is DUZBHWLJWMLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-16(2)11-7-9(8-14)15-13-10(11)5-4-6-12(13)17-3/h4-7H,1-3H3.
What are the key properties of 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile?
4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile is sourced from PubChem (CID 82242563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).