8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride

C24H28ClN3OS — CID 67616152

IUPAC8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride
SMILESC=CCNC(=O)c1cnc2c(CC)cccc2c1Nc1ccccc1SCCC.Cl
InChIInChI=1S/C24H27N3OS.ClH/c1-4-14-25-24(28)19-16-26-22-17(6-3)10-9-11-18(22)23(19)27-20-12-7-8-13-21(20)29-15-5-2;/h4,7-13,16H,1,5-6,14-15H2,2-3H3,(H,25,28)(H,26,27);1H
InChIKeyQCNMJBWONNIGQL-UHFFFAOYSA-N
MW442.03 g/mol
LogP6.38
Rot. Bonds9

About 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride

8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride (PubChem CID 67616152) has the molecular formula C24H28ClN3OS and a molecular weight of 442.03 g/mol. Its IUPAC name is 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride
PubChem CID67616152
Molecular FormulaC24H28ClN3OS
Molecular Weight442.03 g/mol
Exact Mass441.16
IUPAC Name8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride
SMILESC=CCNC(=O)c1cnc2c(CC)cccc2c1Nc1ccccc1SCCC.Cl
InChIInChI=1S/C24H27N3OS.ClH/c1-4-14-25-24(28)19-16-26-22-17(6-3)10-9-11-18(22)23(19)27-20-12-7-8-13-21(20)29-15-5-2;/h4,7-13,16H,1,5-6,14-15H2,2-3H3,(H,25,28)(H,26,27);1H
InChIKeyQCNMJBWONNIGQL-UHFFFAOYSA-N
XLogP6.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.03
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide
CID 10021773
8-methyl-4-(2-propan-2-ylanilino)-N-prop-2-enylquinoline-3-carboxamide;hydrochloride
CID 67616950
8-chloro-4-(2-propan-2-ylanilino)-N-prop-2-enylquinoline-3-carboxamide
CID 67616100
1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10336037
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
1-[4-[2-(hydroxymethyl)anilino]-8-methoxyquinolin-3-yl]butan-1-one
CID 10405610
ethyl 4-(2-methylanilino)-8-methylsulfanylquinoline-3-carboxylate
CID 13038499
4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202174
8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
CID 7719171
4-amino-8-ethylquinoline-3-carbohydrazide
CID 54772803
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride (CID 67616152) is 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride is C=CCNC(=O)c1cnc2c(CC)cccc2c1Nc1ccccc1SCCC.Cl.
What is the InChIKey of 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride?
The InChIKey is QCNMJBWONNIGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS.ClH/c1-4-14-25-24(28)19-16-26-22-17(6-3)10-9-11-18(22)23(19)27-20-12-7-8-13-21(20)29-15-5-2;/h4,7-13,16H,1,5-6,14-15H2,2-3H3,(H,25,28)(H,26,27);1H.
What are the key properties of 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride?
8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride has a molecular weight of 442.03 g/mol, XLogP of 6.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 67616152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).