4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile

C20H19N3O4 — CID 5330472

IUPAC4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc(OC)c1
InChIInChI=1S/C20H19N3O4/c1-24-14-5-13(6-15(7-14)25-2)23-20-12(10-21)11-22-17-9-19(27-4)18(26-3)8-16(17)20/h5-9,11H,1-4H3,(H,22,23)
InChIKeyQSVJJSNSEULONW-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.88
Rot. Bonds6

About 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile

4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile (PubChem CID 5330472) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
PubChem CID5330472
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc(OC)c1
InChIInChI=1S/C20H19N3O4/c1-24-14-5-13(6-15(7-14)25-2)23-20-12(10-21)11-22-17-9-19(27-4)18(26-3)8-16(17)20/h5-9,11H,1-4H3,(H,22,23)
InChIKeyQSVJJSNSEULONW-UHFFFAOYSA-N
XLogP3.88
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Octaverine
CID 68363
Sgc-gak-1
CID 134812846
7-Methoxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330444
7-Methoxy-8-[2-(morpholin-4-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330445
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
4-[(3-Bromophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328838
4-[(3-Chloro-4-fluorophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328839
4-[(3-Bromophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328840
4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328841
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile (CID 5330472) is 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc(OC)c1.
What is the InChIKey of 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The InChIKey is QSVJJSNSEULONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-24-14-5-13(6-15(7-14)25-2)23-20-12(10-21)11-22-17-9-19(27-4)18(26-3)8-16(17)20/h5-9,11H,1-4H3,(H,22,23).
What are the key properties of 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 5330472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).