4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide

C23H23FN4O4 — CID 11328073

IUPAC4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)N4CCOCC4)cc23)ccc1F
InChIInChI=1S/C23H23FN4O4/c1-13-9-14(23(30)28-5-7-32-8-6-28)10-16-20(13)26-12-17(22(25)29)21(16)27-15-3-4-18(24)19(11-15)31-2/h3-4,9-12H,5-8H2,1-2H3,(H2,25,29)(H,26,27)
InChIKeyXSKPNFHGYMZXRG-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.01
Rot. Bonds5

About 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide

4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide (PubChem CID 11328073) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
PubChem CID11328073
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)N4CCOCC4)cc23)ccc1F
InChIInChI=1S/C23H23FN4O4/c1-13-9-14(23(30)28-5-7-32-8-6-28)10-16-20(13)26-12-17(22(25)29)21(16)27-15-3-4-18(24)19(11-15)31-2/h3-4,9-12H,5-8H2,1-2H3,(H2,25,29)(H,26,27)
InChIKeyXSKPNFHGYMZXRG-UHFFFAOYSA-N
XLogP3.01
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)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-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide (CID 11328073) is 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide is COc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)N4CCOCC4)cc23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The InChIKey is XSKPNFHGYMZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-13-9-14(23(30)28-5-7-32-8-6-28)10-16-20(13)26-12-17(22(25)29)21(16)27-15-3-4-18(24)19(11-15)31-2/h3-4,9-12H,5-8H2,1-2H3,(H2,25,29)(H,26,27).
What are the key properties of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide is sourced from PubChem (CID 11328073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).