benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate

C26H22N2O4 — CID 20871809

IUPACbenzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate
SMILESCOc1ccc(N(CC(=O)OCc2ccccc2)C(=O)c2ccnc3ccccc23)cc1
InChIInChI=1S/C26H22N2O4/c1-31-21-13-11-20(12-14-21)28(17-25(29)32-18-19-7-3-2-4-8-19)26(30)23-15-16-27-24-10-6-5-9-22(23)24/h2-16H,17-18H2,1H3
InChIKeySFCQKGDTAAVALF-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.63
Rot. Bonds7

About benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate

benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate (PubChem CID 20871809) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate
PubChem CID20871809
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Namebenzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate
SMILESCOc1ccc(N(CC(=O)OCc2ccccc2)C(=O)c2ccnc3ccccc23)cc1
InChIInChI=1S/C26H22N2O4/c1-31-21-13-11-20(12-14-21)28(17-25(29)32-18-19-7-3-2-4-8-19)26(30)23-15-16-27-24-10-6-5-9-22(23)24/h2-16H,17-18H2,1H3
InChIKeySFCQKGDTAAVALF-UHFFFAOYSA-N
XLogP4.63
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate?
The IUPAC name of benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate (CID 20871809) is benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate.
What is the SMILES notation for benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate?
The canonical SMILES for benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate is COc1ccc(N(CC(=O)OCc2ccccc2)C(=O)c2ccnc3ccccc23)cc1.
What is the InChIKey of benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate?
The InChIKey is SFCQKGDTAAVALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-21-13-11-20(12-14-21)28(17-25(29)32-18-19-7-3-2-4-8-19)26(30)23-15-16-27-24-10-6-5-9-22(23)24/h2-16H,17-18H2,1H3.
What are the key properties of benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate?
benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate has a molecular weight of 426.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate is sourced from PubChem (CID 20871809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).