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

C24H26F2N4O2 — CID 24795066

IUPAC4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1
InChIInChI=1S/C24H26F2N4O2/c1-3-32-22-12-21-17(11-16(22)14-6-8-30(2)9-7-14)23(18(13-28-21)24(27)31)29-20-5-4-15(25)10-19(20)26/h4-5,10-14H,3,6-9H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyAYGOUVZBEXIJRN-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.56
Rot. Bonds6

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

4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide (PubChem CID 24795066) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
PubChem CID24795066
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1
InChIInChI=1S/C24H26F2N4O2/c1-3-32-22-12-21-17(11-16(22)14-6-8-30(2)9-7-14)23(18(13-28-21)24(27)31)29-20-5-4-15(25)10-19(20)26/h4-5,10-14H,3,6-9H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyAYGOUVZBEXIJRN-UHFFFAOYSA-N
XLogP4.56
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide (CID 24795066) is 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The InChIKey is AYGOUVZBEXIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-3-32-22-12-21-17(11-16(22)14-6-8-30(2)9-7-14)23(18(13-28-21)24(27)31)29-20-5-4-15(25)10-19(20)26/h4-5,10-14H,3,6-9H2,1-2H3,(H2,27,31)(H,28,29).
What are the key properties of 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 24795066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).