ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate

C28H34N2O6 — CID 10815061

IUPACethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate
SMILESCCOC(=O)CCCOc1cc(OC)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C28H34N2O6/c1-3-35-27(32)9-6-18-36-25-19-22(34-2)11-12-23(25)28(33)29-16-14-21(15-17-29)30-24-8-5-4-7-20(24)10-13-26(30)31/h4-5,7-8,11-12,19,21H,3,6,9-10,13-18H2,1-2H3
InChIKeyMBLGHDDQUNOGFQ-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.00
Rot. Bonds9

About ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate

ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate (PubChem CID 10815061) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate
PubChem CID10815061
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC Nameethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate
SMILESCCOC(=O)CCCOc1cc(OC)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C28H34N2O6/c1-3-35-27(32)9-6-18-36-25-19-22(34-2)11-12-23(25)28(33)29-16-14-21(15-17-29)30-24-8-5-4-7-20(24)10-13-26(30)31/h4-5,7-8,11-12,19,21H,3,6,9-10,13-18H2,1-2H3
InChIKeyMBLGHDDQUNOGFQ-UHFFFAOYSA-N
XLogP4.00
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

ethyl 5-[3-methoxy-4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]pentanoate
CID 10553681
1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10454139
ethyl 2-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]-N-phenylmethoxycarbonylanilino]acetate
CID 10841266
ethyl 1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-2-oxo-3,4-dihydroquinoline-3-carboxylate
CID 19030985
1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030892
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
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
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
1-[1-[4-[8-(diethylamino)-7-hydroxyoctoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19031021
2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid
CID 15285178

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate?
The IUPAC name of ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate (CID 10815061) is ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate.
What is the SMILES notation for ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate?
The canonical SMILES for ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate is CCOC(=O)CCCOc1cc(OC)ccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate?
The InChIKey is MBLGHDDQUNOGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-3-35-27(32)9-6-18-36-25-19-22(34-2)11-12-23(25)28(33)29-16-14-21(15-17-29)30-24-8-5-4-7-20(24)10-13-26(30)31/h4-5,7-8,11-12,19,21H,3,6,9-10,13-18H2,1-2H3.
What are the key properties of ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate?
ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate has a molecular weight of 494.59 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate is sourced from PubChem (CID 10815061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).