(4-ethoxyphenyl) quinoline-2-carboxylate

C18H15NO3 — CID 1231895

IUPAC(4-ethoxyphenyl) quinoline-2-carboxylate
SMILESCCOc1ccc(OC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15NO3/c1-2-21-14-8-10-15(11-9-14)22-18(20)17-12-7-13-5-3-4-6-16(13)19-17/h3-12H,2H2,1H3
InChIKeyKPAFOONORWCFGZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.85
Rot. Bonds4

About (4-ethoxyphenyl) quinoline-2-carboxylate

(4-ethoxyphenyl) quinoline-2-carboxylate (PubChem CID 1231895) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (4-ethoxyphenyl) quinoline-2-carboxylate.

Molecular Properties

Compound Name(4-ethoxyphenyl) quinoline-2-carboxylate
PubChem CID1231895
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(4-ethoxyphenyl) quinoline-2-carboxylate
SMILESCCOc1ccc(OC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15NO3/c1-2-21-14-8-10-15(11-9-14)22-18(20)17-12-7-13-5-3-4-6-16(13)19-17/h3-12H,2H2,1H3
InChIKeyKPAFOONORWCFGZ-UHFFFAOYSA-N
XLogP3.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-(4-ethoxyanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 46618709
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 7486432
(3-cyanophenyl) quinoline-2-carboxylate
CID 18080065
[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
CID 139238801
2-ethylbutanoyl quinoline-2-carboxylate
CID 18335639
1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
CID 112781068
[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
CID 805957
N'-(2-ethoxybenzoyl)quinoline-2-carbohydrazide
CID 29266895
1-quinolin-2-ylbutan-1-one
CID 14895778
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(2-carbamoylphenyl) quinoline-2-carboxylate
CID 139568542
but-3-yn-2-yl quinoline-2-carboxylate
CID 71987794

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) quinoline-2-carboxylate?
The IUPAC name of (4-ethoxyphenyl) quinoline-2-carboxylate (CID 1231895) is (4-ethoxyphenyl) quinoline-2-carboxylate.
What is the SMILES notation for (4-ethoxyphenyl) quinoline-2-carboxylate?
The canonical SMILES for (4-ethoxyphenyl) quinoline-2-carboxylate is CCOc1ccc(OC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of (4-ethoxyphenyl) quinoline-2-carboxylate?
The InChIKey is KPAFOONORWCFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-21-14-8-10-15(11-9-14)22-18(20)17-12-7-13-5-3-4-6-16(13)19-17/h3-12H,2H2,1H3.
What are the key properties of (4-ethoxyphenyl) quinoline-2-carboxylate?
(4-ethoxyphenyl) quinoline-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) quinoline-2-carboxylate is sourced from PubChem (CID 1231895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).