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

C23H24F2N4O2 — CID 24984560

IUPAC4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1
InChIInChI=1S/C23H24F2N4O2/c1-29-7-5-13(6-8-29)15-10-16-20(11-21(15)31-2)27-12-17(23(26)30)22(16)28-19-4-3-14(24)9-18(19)25/h3-4,9-13H,5-8H2,1-2H3,(H2,26,30)(H,27,28)
InChIKeyPUHFVEMVNGLKIN-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.17
Rot. Bonds5

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

4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide (PubChem CID 24984560) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
PubChem CID24984560
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1
InChIInChI=1S/C23H24F2N4O2/c1-29-7-5-13(6-8-29)15-10-16-20(11-21(15)31-2)27-12-17(23(26)30)22(16)28-19-4-3-14(24)9-18(19)25/h3-4,9-13H,5-8H2,1-2H3,(H2,26,30)(H,27,28)
InChIKeyPUHFVEMVNGLKIN-UHFFFAOYSA-N
XLogP4.17
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.17
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-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide (CID 24984560) is 4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The InChIKey is PUHFVEMVNGLKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-29-7-5-13(6-8-29)15-10-16-20(11-21(15)31-2)27-12-17(23(26)30)22(16)28-19-4-3-14(24)9-18(19)25/h3-4,9-13H,5-8H2,1-2H3,(H2,26,30)(H,27,28).
What are the key properties of 4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.17, 5 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-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 24984560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).