4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide

C23H24F2N4O2 — CID 68977861

IUPAC4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCNCC1
InChIInChI=1S/C23H24F2N4O2/c1-2-31-21-11-20-16(10-15(21)13-5-7-27-8-6-13)22(17(12-28-20)23(26)30)29-19-4-3-14(24)9-18(19)25/h3-4,9-13,27H,2,5-8H2,1H3,(H2,26,30)(H,28,29)
InChIKeyQIRBSAZCNOSLLJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.22
Rot. Bonds6

About 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide

4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide (PubChem CID 68977861) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide
PubChem CID68977861
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCNCC1
InChIInChI=1S/C23H24F2N4O2/c1-2-31-21-11-20-16(10-15(21)13-5-7-27-8-6-13)22(17(12-28-20)23(26)30)29-19-4-3-14(24)9-18(19)25/h3-4,9-13,27H,2,5-8H2,1H3,(H2,26,30)(H,28,29)
InChIKeyQIRBSAZCNOSLLJ-UHFFFAOYSA-N
XLogP4.22
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide (CID 68977861) is 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCNCC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide?
The InChIKey is QIRBSAZCNOSLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-2-31-21-11-20-16(10-15(21)13-5-7-27-8-6-13)22(17(12-28-20)23(26)30)29-19-4-3-14(24)9-18(19)25/h3-4,9-13,27H,2,5-8H2,1H3,(H2,26,30)(H,28,29).
What are the key properties of 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 68977861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).