7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide

C24H28FN5O2 — CID 24759666

IUPAC7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1N1CCN(C)CC1
InChIInChI=1S/C24H28FN5O2/c1-4-32-22-13-19-16(12-21(22)30-9-7-29(3)8-10-30)23(17(14-27-19)24(26)31)28-20-11-15(2)5-6-18(20)25/h5-6,11-14H,4,7-10H2,1-3H3,(H2,26,31)(H,27,28)
InChIKeyHTAUJXQLLAAXGC-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.68
Rot. Bonds6

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

7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide (PubChem CID 24759666) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
PubChem CID24759666
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1N1CCN(C)CC1
InChIInChI=1S/C24H28FN5O2/c1-4-32-22-13-19-16(12-21(22)30-9-7-29(3)8-10-30)23(17(14-27-19)24(26)31)28-20-11-15(2)5-6-18(20)25/h5-6,11-14H,4,7-10H2,1-3H3,(H2,26,31)(H,27,28)
InChIKeyHTAUJXQLLAAXGC-UHFFFAOYSA-N
XLogP3.68
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-ethoxy-4-(2-fluoro-5-methylanilino)-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 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The IUPAC name of 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide (CID 24759666) is 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1N1CCN(C)CC1.
What is the InChIKey of 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The InChIKey is HTAUJXQLLAAXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-4-32-22-13-19-16(12-21(22)30-9-7-29(3)8-10-30)23(17(14-27-19)24(26)31)28-20-11-15(2)5-6-18(20)25/h5-6,11-14H,4,7-10H2,1-3H3,(H2,26,31)(H,27,28).
What are the key properties of 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 24759666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).