2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid

C19H16N2O5 — CID 67304323

IUPAC2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)O)cc3)c2cc1C(N)=O
InChIInChI=1S/C19H16N2O5/c1-25-17-10-15-13(9-14(17)19(20)24)16(6-7-21-15)26-12-4-2-11(3-5-12)8-18(22)23/h2-7,9-10H,8H2,1H3,(H2,20,24)(H,22,23)
InChIKeyUIYFXIOUGLQCTF-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.76
Rot. Bonds6

About 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid

2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid (PubChem CID 67304323) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
PubChem CID67304323
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)O)cc3)c2cc1C(N)=O
InChIInChI=1S/C19H16N2O5/c1-25-17-10-15-13(9-14(17)19(20)24)16(6-7-21-15)26-12-4-2-11(3-5-12)8-18(22)23/h2-7,9-10H,8H2,1H3,(H2,20,24)(H,22,23)
InChIKeyUIYFXIOUGLQCTF-UHFFFAOYSA-N
XLogP2.76
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 134333891
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786
4-[3-chloro-4-[(4-chlorophenyl)methylcarbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333848

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid (CID 67304323) is 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid is COc1cc2nccc(Oc3ccc(CC(=O)O)cc3)c2cc1C(N)=O.
What is the InChIKey of 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid?
The InChIKey is UIYFXIOUGLQCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-25-17-10-15-13(9-14(17)19(20)24)16(6-7-21-15)26-12-4-2-11(3-5-12)8-18(22)23/h2-7,9-10H,8H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid?
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid has a molecular weight of 352.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 67304323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).