4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

C24H24FN5O3 — CID 122431456

IUPAC4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12
InChIInChI=1S/C24H24FN5O3/c1-3-33-22-13-20(18-12-16(25)7-9-21(18)32-2)29-19-11-15(6-8-17(19)22)24(31)26-10-4-5-23-27-14-28-30-23/h6-9,11-14H,3-5,10H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyQKHFAOLDHRVDRP-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.93
Rot. Bonds9

About 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431456) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID122431456
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12
InChIInChI=1S/C24H24FN5O3/c1-3-33-22-13-20(18-12-16(25)7-9-21(18)32-2)29-19-11-15(6-8-17(19)22)24(31)26-10-4-5-23-27-14-28-30-23/h6-9,11-14H,3-5,10H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyQKHFAOLDHRVDRP-UHFFFAOYSA-N
XLogP3.93
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137654557
5-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-ylamino)quinazoline-7-carboxamide
CID 71250340
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-ylamino)quinazoline-7-carboxamide
CID 71529034
2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122423941
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
4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 122431365
4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431367
2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
CID 122431368
4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide
CID 122431370

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (CID 122431456) is 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is QKHFAOLDHRVDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-3-33-22-13-20(18-12-16(25)7-9-21(18)32-2)29-19-11-15(6-8-17(19)22)24(31)26-10-4-5-23-27-14-28-30-23/h6-9,11-14H,3-5,10H2,1-2H3,(H,26,31)(H,27,28,30).
What are the key properties of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).