4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride

C20H20ClN3O3 — CID 146055598

IUPAC4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
SMILESCCOc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1.Cl
InChIInChI=1S/C20H19N3O3.ClH/c1-4-26-15-7-5-14(6-8-15)23-20-13(11-21)12-22-17-10-19(25-3)18(24-2)9-16(17)20;/h5-10,12H,4H2,1-3H3,(H,22,23);1H
InChIKeyUIKMESXKDBANTO-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.69
Rot. Bonds6

About 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride

4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride (PubChem CID 146055598) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
PubChem CID146055598
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
SMILESCCOc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1.Cl
InChIInChI=1S/C20H19N3O3.ClH/c1-4-26-15-7-5-14(6-8-15)23-20-13(11-21)12-22-17-10-19(25-3)18(24-2)9-16(17)20;/h5-10,12H,4H2,1-3H3,(H,22,23);1H
InChIKeyUIKMESXKDBANTO-UHFFFAOYSA-N
XLogP4.69
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
6-(3-aminopropoxy)-4-[4-(1,3-dioxol-2-ylmethoxy)anilino]-7-methoxyquinoline-3-carbonitrile
CID 142857793
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
4-(4-dodecoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330471
4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile
CID 91320455
6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 71211211

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride (CID 146055598) is 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride is CCOc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1.Cl.
What is the InChIKey of 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride?
The InChIKey is UIKMESXKDBANTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.ClH/c1-4-26-15-7-5-14(6-8-15)23-20-13(11-21)12-22-17-10-19(25-3)18(24-2)9-16(17)20;/h5-10,12H,4H2,1-3H3,(H,22,23);1H.
What are the key properties of 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride?
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 146055598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).