4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide

C23H24F2N4O3 — CID 44571307

IUPAC4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1
InChIInChI=1S/C23H24F2N4O3/c1-2-32-21-11-19-15(10-20(21)29-7-5-14(30)6-8-29)22(16(12-27-19)23(26)31)28-18-4-3-13(24)9-17(18)25/h3-4,9-12,14,30H,2,5-8H2,1H3,(H2,26,31)(H,27,28)
InChIKeyHGMSNMCROLQLSN-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.72
Rot. Bonds6

About 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide

4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide (PubChem CID 44571307) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide
PubChem CID44571307
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC Name4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1
InChIInChI=1S/C23H24F2N4O3/c1-2-32-21-11-19-15(10-20(21)29-7-5-14(30)6-8-29)22(16(12-27-19)23(26)31)28-18-4-3-13(24)9-17(18)25/h3-4,9-12,14,30H,2,5-8H2,1H3,(H2,26,31)(H,27,28)
InChIKeyHGMSNMCROLQLSN-UHFFFAOYSA-N
XLogP3.72
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide with MolForge

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Related Compounds

4-(2-Fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide
CID 25001557
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
HPGDS inhibitor 2
CID 129247606
4-(2-Fluoro-5-methylphenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10108847
4-(2-Fluoro-4-methylanilino)-7-(2-methoxyethoxy)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 25196164
4-(2,4-Difluorophenylamino)-7-methoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571022
Quinolinium, 7-amino-4-(2-methoxy-p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-1-methyl-, dibromide
CID 3052478
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-3-N,3-N-dimethylquinoline-3,8-dicarboxamide
CID 10744240
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide
CID 122183778
4-(2,4-Difluorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571150
4-(2,4-Difluorophenylamino)-7-methoxy-6-(2-morpholinoethylamino)quinoline-3-carboxamide
CID 44571223
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)cinnoline-3-carboxamide
CID 51346808

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide (CID 44571307) is 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide?
The InChIKey is HGMSNMCROLQLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-2-32-21-11-19-15(10-20(21)29-7-5-14(30)6-8-29)22(16(12-27-19)23(26)31)28-18-4-3-13(24)9-17(18)25/h3-4,9-12,14,30H,2,5-8H2,1H3,(H2,26,31)(H,27,28).
What are the key properties of 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 44571307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).