[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid

C18H14FN3O5 — CID 22936357

IUPAC[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)O)c(F)c3)c2cc1C(N)=O
InChIInChI=1S/C18H14FN3O5/c1-26-16-8-14-10(7-11(16)17(20)23)15(4-5-21-14)27-9-2-3-13(12(19)6-9)22-18(24)25/h2-8,22H,1H3,(H2,20,23)(H,24,25)
InChIKeyFEHSTUXGRRLGJE-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.36
Rot. Bonds5

About [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid

[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid (PubChem CID 22936357) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
PubChem CID22936357
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)O)c(F)c3)c2cc1C(N)=O
InChIInChI=1S/C18H14FN3O5/c1-26-16-8-14-10(7-11(16)17(20)23)15(4-5-21-14)27-9-2-3-13(12(19)6-9)22-18(24)25/h2-8,22H,1H3,(H2,20,23)(H,24,25)
InChIKeyFEHSTUXGRRLGJE-UHFFFAOYSA-N
XLogP3.36
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid with MolForge

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Related Compounds

4-[3-fluoro-4-(2-fluoroethylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58930854
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
CID 22936529
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684
4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-[3-chloro-4-[(1,1,1-trifluoro-2-methylpropan-2-yl)carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333804
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-[3-chloro-4-[(4-chlorophenyl)methylcarbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333848

Frequently Asked Questions

What is the IUPAC name of [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid?
The IUPAC name of [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid (CID 22936357) is [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid.
What is the SMILES notation for [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid?
The canonical SMILES for [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid is COc1cc2nccc(Oc3ccc(NC(=O)O)c(F)c3)c2cc1C(N)=O.
What is the InChIKey of [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid?
The InChIKey is FEHSTUXGRRLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c1-26-16-8-14-10(7-11(16)17(20)23)15(4-5-21-14)27-9-2-3-13(12(19)6-9)22-18(24)25/h2-8,22H,1H3,(H2,20,23)(H,24,25).
What are the key properties of [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid?
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid has a molecular weight of 371.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid is sourced from PubChem (CID 22936357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).