4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide

C25H20F2N4O4 — CID 67205409

IUPAC4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cccc(N(C)C(=O)Nc4ccc(F)cc4)c3F)c2cc1C(N)=O
InChIInChI=1S/C25H20F2N4O4/c1-31(25(33)30-15-8-6-14(26)7-9-15)19-4-3-5-21(23(19)27)35-20-10-11-29-18-13-22(34-2)17(24(28)32)12-16(18)20/h3-13H,1-2H3,(H2,28,32)(H,30,33)
InChIKeyKIGPSDHEDZQQIT-UHFFFAOYSA-N
MW478.46 g/mol
LogP5.08
Rot. Bonds6

About 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide

4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 67205409) has the molecular formula C25H20F2N4O4 and a molecular weight of 478.46 g/mol. Its IUPAC name is 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID67205409
Molecular FormulaC25H20F2N4O4
Molecular Weight478.46 g/mol
Exact Mass478.15
IUPAC Name4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cccc(N(C)C(=O)Nc4ccc(F)cc4)c3F)c2cc1C(N)=O
InChIInChI=1S/C25H20F2N4O4/c1-31(25(33)30-15-8-6-14(26)7-9-15)19-4-3-5-21(23(19)27)35-20-10-11-29-18-13-22(34-2)17(24(28)32)12-16(18)20/h3-13H,1-2H3,(H2,28,32)(H,30,33)
InChIKeyKIGPSDHEDZQQIT-UHFFFAOYSA-N
XLogP5.08
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.46
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 67304856
1-[4-[6-(aminomethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylurea
CID 58931193
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl] N,N-dimethylcarbamate
CID 142610293
1-N-[4-[6-carbamoyl-7-(2-hydroxyethoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350049
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
1-N-[4-(6-carbamoyl-7-methoxyquinazolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155755700

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide (CID 67205409) is 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3cccc(N(C)C(=O)Nc4ccc(F)cc4)c3F)c2cc1C(N)=O.
What is the InChIKey of 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is KIGPSDHEDZQQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O4/c1-31(25(33)30-15-8-6-14(26)7-9-15)19-4-3-5-21(23(19)27)35-20-10-11-29-18-13-22(34-2)17(24(28)32)12-16(18)20/h3-13H,1-2H3,(H2,28,32)(H,30,33).
What are the key properties of 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 478.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 67205409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).