6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid

C23H17NO4 — CID 19692180

IUPAC6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Oc3ccccc3)cc2cc1OCc1ccccc1
InChIInChI=1S/C23H17NO4/c25-23(26)22-21(27-15-16-7-3-1-4-8-16)14-17-13-19(11-12-20(17)24-22)28-18-9-5-2-6-10-18/h1-14H,15H2,(H,25,26)
InChIKeyXGHREJRCUZSTPV-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.30
Rot. Bonds6

About 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid

6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid (PubChem CID 19692180) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
PubChem CID19692180
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Oc3ccccc3)cc2cc1OCc1ccccc1
InChIInChI=1S/C23H17NO4/c25-23(26)22-21(27-15-16-7-3-1-4-8-16)14-17-13-19(11-12-20(17)24-22)28-18-9-5-2-6-10-18/h1-14H,15H2,(H,25,26)
InChIKeyXGHREJRCUZSTPV-UHFFFAOYSA-N
XLogP5.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
CID 22446096
benzyl 2-[[6-(3-methoxyphenoxy)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692176
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
(2-carbamoyl-6-phenoxyquinolin-3-yl) acetate
CID 174474043
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995
benzyl 2-[[6-(benzenesulfonyl)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692238
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
2,4-dihydroperoxy-6-phenylmethoxybenzoic acid
CID 166486054
6-phenoxyquinazolin-2-amine
CID 151514344
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid?
The IUPAC name of 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid (CID 19692180) is 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid?
The canonical SMILES for 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid is O=C(O)c1nc2ccc(Oc3ccccc3)cc2cc1OCc1ccccc1.
What is the InChIKey of 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid?
The InChIKey is XGHREJRCUZSTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-23(26)22-21(27-15-16-7-3-1-4-8-16)14-17-13-19(11-12-20(17)24-22)28-18-9-5-2-6-10-18/h1-14H,15H2,(H,25,26).
What are the key properties of 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid?
6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 19692180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).