ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate

C25H27N3O4 — CID 6622065

IUPACethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)cc3)nc3ccccc23)C1
InChIInChI=1S/C25H27N3O4/c1-3-32-25(30)17-7-6-14-28(16-17)24(29)21-15-23(27-22-9-5-4-8-20(21)22)26-18-10-12-19(31-2)13-11-18/h4-5,8-13,15,17H,3,6-7,14,16H2,1-2H3,(H,26,27)
InChIKeyCXHSQLAKNRISGA-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.40
Rot. Bonds6

About ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate (PubChem CID 6622065) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate
PubChem CID6622065
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Nameethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)cc3)nc3ccccc23)C1
InChIInChI=1S/C25H27N3O4/c1-3-32-25(30)17-7-6-14-28(16-17)24(29)21-15-23(27-22-9-5-4-8-20(21)22)26-18-10-12-19(31-2)13-11-18/h4-5,8-13,15,17H,3,6-7,14,16H2,1-2H3,(H,26,27)
InChIKeyCXHSQLAKNRISGA-UHFFFAOYSA-N
XLogP4.40
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate (CID 6622065) is ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)cc3)nc3ccccc23)C1.
What is the InChIKey of ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is CXHSQLAKNRISGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-32-25(30)17-7-6-14-28(16-17)24(29)21-15-23(27-22-9-5-4-8-20(21)22)26-18-10-12-19(31-2)13-11-18/h4-5,8-13,15,17H,3,6-7,14,16H2,1-2H3,(H,26,27).
What are the key properties of ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 6622065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).