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

C26H23FN4O4 — CID 67304856

IUPAC4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cccc(N(C)C(=O)Nc4ccc(F)cc4)c3C)c2cc1C(N)=O
InChIInChI=1S/C26H23FN4O4/c1-15-21(31(2)26(33)30-17-9-7-16(27)8-10-17)5-4-6-22(15)35-23-11-12-29-20-14-24(34-3)19(25(28)32)13-18(20)23/h4-14H,1-3H3,(H2,28,32)(H,30,33)
InChIKeyDHHORBIDGRHMAS-UHFFFAOYSA-N
MW474.49 g/mol
LogP5.25
Rot. Bonds6

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

4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 67304856) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID67304856
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cccc(N(C)C(=O)Nc4ccc(F)cc4)c3C)c2cc1C(N)=O
InChIInChI=1S/C26H23FN4O4/c1-15-21(31(2)26(33)30-17-9-7-16(27)8-10-17)5-4-6-22(15)35-23-11-12-29-20-14-24(34-3)19(25(28)32)13-18(20)23/h4-14H,1-3H3,(H2,28,32)(H,30,33)
InChIKeyDHHORBIDGRHMAS-UHFFFAOYSA-N
XLogP5.25
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.49
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide with MolForge

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Related Compounds

4-[2-fluoro-3-[(4-fluorophenyl)carbamoyl-methylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 67205409
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
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
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-[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
4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 175933294
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide (CID 67304856) is 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3cccc(N(C)C(=O)Nc4ccc(F)cc4)c3C)c2cc1C(N)=O.
What is the InChIKey of 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is DHHORBIDGRHMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-15-21(31(2)26(33)30-17-9-7-16(27)8-10-17)5-4-6-22(15)35-23-11-12-29-20-14-24(34-3)19(25(28)32)13-18(20)23/h4-14H,1-3H3,(H2,28,32)(H,30,33).
What are the key properties of 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide?
4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)carbamoyl-methylamino]-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 67304856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).