4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

C20H24N4O2S — CID 122423942

IUPAC4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(SCC)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C20H24N4O2S/c1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyCWLJQIJRPADLAT-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.83
Rot. Bonds9

About 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (PubChem CID 122423942) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
PubChem CID122423942
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(SCC)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C20H24N4O2S/c1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyCWLJQIJRPADLAT-UHFFFAOYSA-N
XLogP3.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-[(2-methylsulfanylbenzoyl)amino]pentyl]-1,3-thiazole-5-carboxamide
CID 162647804
N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
CID 155537065
N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
CID 155547142
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide
CID 122423904
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide
CID 122423936
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)cyclobutyl]quinoline-7-carboxamide
CID 122423992
2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122423993
4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide
CID 122424032
4-ethoxy-2-(4-fluorophenyl)-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-7-carboxamide
CID 122431359
2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122431360
4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 122431365
4-ethoxy-2-(4-fluorophenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide
CID 122431369

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (CID 122423942) is 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is CCOc1cc(SCC)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The InChIKey is CWLJQIJRPADLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122423942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).