8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide

C21H20ClN3O — CID 10021773

IUPAC8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1CC
InChIInChI=1S/C21H20ClN3O/c1-3-12-23-21(26)16-13-24-20-15(9-7-10-17(20)22)19(16)25-18-11-6-5-8-14(18)4-2/h3,5-11,13H,1,4,12H2,2H3,(H,23,26)(H,24,25)
InChIKeyYILTUNSSIKNDSE-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.11
Rot. Bonds6

About 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide

8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide (PubChem CID 10021773) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide
PubChem CID10021773
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1CC
InChIInChI=1S/C21H20ClN3O/c1-3-12-23-21(26)16-13-24-20-15(9-7-10-17(20)22)19(16)25-18-11-6-5-8-14(18)4-2/h3,5-11,13H,1,4,12H2,2H3,(H,23,26)(H,24,25)
InChIKeyYILTUNSSIKNDSE-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-4-(2-propan-2-ylanilino)-N-prop-2-enylquinoline-3-carboxamide
CID 67616100
8-ethyl-N-prop-2-enyl-4-(2-propylsulfanylanilino)quinoline-3-carboxamide;hydrochloride
CID 67616152
8-methyl-4-(2-propan-2-ylanilino)-N-prop-2-enylquinoline-3-carboxamide;hydrochloride
CID 67616950
7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate
CID 2241646
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202174
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
2-(3-chloro-2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247769
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
1-[4-[2-(hydroxymethyl)anilino]-8-methoxyquinolin-3-yl]butan-1-one
CID 10405610
6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110495
2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide
CID 67677744

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide (CID 10021773) is 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide is C=CCNC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1CC.
What is the InChIKey of 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide?
The InChIKey is YILTUNSSIKNDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-3-12-23-21(26)16-13-24-20-15(9-7-10-17(20)22)19(16)25-18-11-6-5-8-14(18)4-2/h3,5-11,13H,1,4,12H2,2H3,(H,23,26)(H,24,25).
What are the key properties of 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide?
8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 10021773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).