4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride

C19H18ClN3O2 — CID 146055685

IUPAC4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
SMILESCCOc1ccc(Nc2c(C#N)cnc3c(OC)cccc23)cc1.Cl
InChIInChI=1S/C19H17N3O2.ClH/c1-3-24-15-9-7-14(8-10-15)22-18-13(11-20)12-21-19-16(18)5-4-6-17(19)23-2;/h4-10,12H,3H2,1-2H3,(H,21,22);1H
InChIKeyYIEXOJUJABJKFK-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.68
Rot. Bonds5

About 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride

4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride (PubChem CID 146055685) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
PubChem CID146055685
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
SMILESCCOc1ccc(Nc2c(C#N)cnc3c(OC)cccc23)cc1.Cl
InChIInChI=1S/C19H17N3O2.ClH/c1-3-24-15-9-7-14(8-10-15)22-18-13(11-20)12-21-19-16(18)5-4-6-17(19)23-2;/h4-10,12H,3H2,1-2H3,(H,21,22);1H
InChIKeyYIEXOJUJABJKFK-UHFFFAOYSA-N
XLogP4.68
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
CID 167702626
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
4-(4-phenoxyanilino)benzo[h]quinoline-3-carbonitrile
CID 69372675
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
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)-8-methoxyquinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride (CID 146055685) is 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride is CCOc1ccc(Nc2c(C#N)cnc3c(OC)cccc23)cc1.Cl.
What is the InChIKey of 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride?
The InChIKey is YIEXOJUJABJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.ClH/c1-3-24-15-9-7-14(8-10-15)22-18-13(11-20)12-21-19-16(18)5-4-6-17(19)23-2;/h4-10,12H,3H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride?
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 146055685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).