2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid

C20H14N2O4 — CID 59551815

IUPAC2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(OCO)c3ccccc3n2)nc2ccccc12
InChIInChI=1S/C20H14N2O4/c23-11-26-19-10-18(22-16-8-4-2-6-13(16)19)17-9-14(20(24)25)12-5-1-3-7-15(12)21-17/h1-10,23H,11H2,(H,24,25)
InChIKeyFUAGKPFWDAYGQU-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid

2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid (PubChem CID 59551815) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
PubChem CID59551815
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(OCO)c3ccccc3n2)nc2ccccc12
InChIInChI=1S/C20H14N2O4/c23-11-26-19-10-18(22-16-8-4-2-6-13(16)19)17-9-14(20(24)25)12-5-1-3-7-15(12)21-17/h1-10,23H,11H2,(H,24,25)
InChIKeyFUAGKPFWDAYGQU-UHFFFAOYSA-N
XLogP3.48
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
CID 101438368
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
2-(2-aminophenyl)quinoline-4-carboxylic acid
CID 131879149
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid (CID 59551815) is 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid is O=C(O)c1cc(-c2cc(OCO)c3ccccc3n2)nc2ccccc12.
What is the InChIKey of 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid?
The InChIKey is FUAGKPFWDAYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-11-26-19-10-18(22-16-8-4-2-6-13(16)19)17-9-14(20(24)25)12-5-1-3-7-15(12)21-17/h1-10,23H,11H2,(H,24,25).
What are the key properties of 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid?
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 59551815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).