4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide

C23H25F2N5O2 — CID 44570645

IUPAC4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3cc(F)ccc3F)c2cc1N1CCN(C)CC1
InChIInChI=1S/C23H25F2N5O2/c1-3-32-21-12-18-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-18)23(26)31)28-19-10-14(24)4-5-17(19)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)
InChIKeyWIBPDVDQLLFWJP-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.51
Rot. Bonds6

About 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide

4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide (PubChem CID 44570645) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
PubChem CID44570645
Molecular FormulaC23H25F2N5O2
Molecular Weight441.48 g/mol
Exact Mass441.20
IUPAC Name4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3cc(F)ccc3F)c2cc1N1CCN(C)CC1
InChIInChI=1S/C23H25F2N5O2/c1-3-32-21-12-18-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-18)23(26)31)28-19-10-14(24)4-5-17(19)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)
InChIKeyWIBPDVDQLLFWJP-UHFFFAOYSA-N
XLogP3.51
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide (CID 44570645) is 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3cc(F)ccc3F)c2cc1N1CCN(C)CC1.
What is the InChIKey of 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The InChIKey is WIBPDVDQLLFWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c1-3-32-21-12-18-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-18)23(26)31)28-19-10-14(24)4-5-17(19)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28).
What are the key properties of 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 44570645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).