ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate

C34H37N3O7 — CID 10841266

IUPACethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate
SMILESCCOC(=O)CN(C(=O)OCc1ccccc1)c1cc(OC)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C34H37N3O7/c1-3-43-32(39)22-36(34(41)44-23-24-9-5-4-6-10-24)30-21-27(42-2)14-15-28(30)33(40)35-19-17-26(18-20-35)37-29-12-8-7-11-25(29)13-16-31(37)38/h4-12,14-15,21,26H,3,13,16-20,22-23H2,1-2H3
InChIKeyRZSALKIJBCKRRF-UHFFFAOYSA-N
MW599.68 g/mol
LogP4.99
Rot. Bonds9

About ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate

ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate (PubChem CID 10841266) has the molecular formula C34H37N3O7 and a molecular weight of 599.68 g/mol. Its IUPAC name is ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate
PubChem CID10841266
Molecular FormulaC34H37N3O7
Molecular Weight599.68 g/mol
Exact Mass599.26
IUPAC Nameethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate
SMILESCCOC(=O)CN(C(=O)OCc1ccccc1)c1cc(OC)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C34H37N3O7/c1-3-43-32(39)22-36(34(41)44-23-24-9-5-4-6-10-24)30-21-27(42-2)14-15-28(30)33(40)35-19-17-26(18-20-35)37-29-12-8-7-11-25(29)13-16-31(37)38/h4-12,14-15,21,26H,3,13,16-20,22-23H2,1-2H3
InChIKeyRZSALKIJBCKRRF-UHFFFAOYSA-N
XLogP4.99
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.68
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate
CID 10815061
1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10454139
ethyl 5-[3-methoxy-4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]pentanoate
CID 10553681
1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030892
1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10642420
[3-acetyloxy-5-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
CID 10694843
3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 18960742
1-[1-[4-[7-(diethylamino)heptoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030830
ethyl 1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-2-oxo-3,4-dihydroquinoline-3-carboxylate
CID 19030985
benzyl (2R)-2-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propylcarbamoyl]pyrrolidine-1-carboxylate
CID 70105782
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 19030828

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate?
The IUPAC name of ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate (CID 10841266) is ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate.
What is the SMILES notation for ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate?
The canonical SMILES for ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate is CCOC(=O)CN(C(=O)OCc1ccccc1)c1cc(OC)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate?
The InChIKey is RZSALKIJBCKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O7/c1-3-43-32(39)22-36(34(41)44-23-24-9-5-4-6-10-24)30-21-27(42-2)14-15-28(30)33(40)35-19-17-26(18-20-35)37-29-12-8-7-11-25(29)13-16-31(37)38/h4-12,14-15,21,26H,3,13,16-20,22-23H2,1-2H3.
What are the key properties of ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate?
ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate has a molecular weight of 599.68 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate is sourced from PubChem (CID 10841266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).