4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride

C18H16ClN3O — CID 146055711

IUPAC4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
SMILESCCOc1ccc2ncc(C#N)c(Nc3ccccc3)c2c1.Cl
InChIInChI=1S/C18H15N3O.ClH/c1-2-22-15-8-9-17-16(10-15)18(13(11-19)12-20-17)21-14-6-4-3-5-7-14;/h3-10,12H,2H2,1H3,(H,20,21);1H
InChIKeyTWXRKPIMVRROFB-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.67
Rot. Bonds4

About 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride

4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride (PubChem CID 146055711) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
PubChem CID146055711
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
SMILESCCOc1ccc2ncc(C#N)c(Nc3ccccc3)c2c1.Cl
InChIInChI=1S/C18H15N3O.ClH/c1-2-22-15-8-9-17-16(10-15)18(13(11-19)12-20-17)21-14-6-4-3-5-7-14;/h3-10,12H,2H2,1H3,(H,20,21);1H
InChIKeyTWXRKPIMVRROFB-UHFFFAOYSA-N
XLogP4.67
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055704
6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carbonitrile
CID 50768558
6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride
CID 146055732
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
CID 55059974
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride (CID 146055711) is 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride is CCOc1ccc2ncc(C#N)c(Nc3ccccc3)c2c1.Cl.
What is the InChIKey of 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride?
The InChIKey is TWXRKPIMVRROFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O.ClH/c1-2-22-15-8-9-17-16(10-15)18(13(11-19)12-20-17)21-14-6-4-3-5-7-14;/h3-10,12H,2H2,1H3,(H,20,21);1H.
What are the key properties of 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride?
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 146055711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).