6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride

C20H20ClN3O3 — CID 45283848

IUPAC6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCOc1cc(Nc2c(C#N)cnc3ccc(C)cc23)cc(OC)c1OC.Cl
InChIInChI=1S/C20H19N3O3.ClH/c1-12-5-6-16-15(7-12)19(13(10-21)11-22-16)23-14-8-17(24-2)20(26-4)18(9-14)25-3;/h5-9,11H,1-4H3,(H,22,23);1H
InChIKeyGZVZJOMIBVEQCI-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.61
Rot. Bonds5

About 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride

6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride (PubChem CID 45283848) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
PubChem CID45283848
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
SMILESCOc1cc(Nc2c(C#N)cnc3ccc(C)cc23)cc(OC)c1OC.Cl
InChIInChI=1S/C20H19N3O3.ClH/c1-12-5-6-16-15(7-12)19(13(10-21)11-22-16)23-14-8-17(24-2)20(26-4)18(9-14)25-3;/h5-9,11H,1-4H3,(H,22,23);1H
InChIKeyGZVZJOMIBVEQCI-UHFFFAOYSA-N
XLogP4.61
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
CID 23437819
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055600
6-methoxy-7-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
CID 5330503
4-(2-hydroxy-4-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466676
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
4-(4-dodecoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330471
7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
CID 50768609

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride (CID 45283848) is 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride is COc1cc(Nc2c(C#N)cnc3ccc(C)cc23)cc(OC)c1OC.Cl.
What is the InChIKey of 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride?
The InChIKey is GZVZJOMIBVEQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.ClH/c1-12-5-6-16-15(7-12)19(13(10-21)11-22-16)23-14-8-17(24-2)20(26-4)18(9-14)25-3;/h5-9,11H,1-4H3,(H,22,23);1H.
What are the key properties of 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride?
6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 45283848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).