[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate

C25H20N2O4 — CID 3355066

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H20N2O4/c28-24(17-31-25(29)23-15-10-19-8-4-5-9-22(19)27-23)26-20-11-13-21(14-12-20)30-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,26,28)
InChIKeySZHDNTNVNPTFPY-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.61
Rot. Bonds7

About [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate (PubChem CID 3355066) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
PubChem CID3355066
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H20N2O4/c28-24(17-31-25(29)23-15-10-19-8-4-5-9-22(19)27-23)26-20-11-13-21(14-12-20)30-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,26,28)
InChIKeySZHDNTNVNPTFPY-UHFFFAOYSA-N
XLogP4.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
CID 7866583
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 2388111
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(3,4-difluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2466704
[2-(4-butoxycarbonylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 7812667
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 4226974
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628986
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648215

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate (CID 3355066) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate?
The InChIKey is SZHDNTNVNPTFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c28-24(17-31-25(29)23-15-10-19-8-4-5-9-22(19)27-23)26-20-11-13-21(14-12-20)30-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,26,28).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate has a molecular weight of 412.45 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate is sourced from PubChem (CID 3355066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).