[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate

C19H15NO4 — CID 805957

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H15NO4/c1-23-15-9-6-14(7-10-15)18(21)12-24-19(22)17-11-8-13-4-2-3-5-16(13)20-17/h2-11H,12H2,1H3
InChIKeyBSYQOWOVDFTFFO-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.28
Rot. Bonds5

About [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 805957) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID805957
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H15NO4/c1-23-15-9-6-14(7-10-15)18(21)12-24-19(22)17-11-8-13-4-2-3-5-16(13)20-17/h2-11H,12H2,1H3
InChIKeyBSYQOWOVDFTFFO-UHFFFAOYSA-N
XLogP3.28
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] quinoline-2-carboxylate
CID 7594553
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
CID 7786608
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813125
[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2352915
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
[2-(4-butoxycarbonylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 7812667
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
CID 2693091
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 7486432
2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline
CID 175109611
(4-ethoxyphenyl) quinoline-2-carboxylate
CID 1231895

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate (CID 805957) is [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate is COc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is BSYQOWOVDFTFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-23-15-9-6-14(7-10-15)18(21)12-24-19(22)17-11-8-13-4-2-3-5-16(13)20-17/h2-11H,12H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 805957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).