4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile

C19H17N3O — CID 97032475

IUPAC4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(Nc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C19H17N3O/c1-12-6-13(2)8-15(7-12)22-19-14(10-20)11-21-18-5-4-16(23-3)9-17(18)19/h4-9,11H,1-3H3,(H,21,22)
InChIKeyMKWQMGYVUKMZFB-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.48
Rot. Bonds3

About 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile

4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile (PubChem CID 97032475) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
PubChem CID97032475
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(Nc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C19H17N3O/c1-12-6-13(2)8-15(7-12)22-19-14(10-20)11-21-18-5-4-16(23-3)9-17(18)19/h4-9,11H,1-3H3,(H,21,22)
InChIKeyMKWQMGYVUKMZFB-UHFFFAOYSA-N
XLogP4.48
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 45283848
6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride
CID 146055732
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736
6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055704
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766
4-(3-ethynylanilino)-7-methoxyquinoline-3-carbonitrile
CID 166629629
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile (CID 97032475) is 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile is COc1ccc2ncc(C#N)c(Nc3cc(C)cc(C)c3)c2c1.
What is the InChIKey of 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile?
The InChIKey is MKWQMGYVUKMZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-6-13(2)8-15(7-12)22-19-14(10-20)11-21-18-5-4-16(23-3)9-17(18)19/h4-9,11H,1-3H3,(H,21,22).
What are the key properties of 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile?
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 97032475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).