methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

C23H29N3O7 — CID 56852008

IUPACmethyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOCCON1C(=O)CC(C(=O)OC)C12CCN(C(=O)C1CC(=O)Nc3ccccc31)CC2
InChIInChI=1S/C23H29N3O7/c1-31-11-12-33-26-20(28)14-17(22(30)32-2)23(26)7-9-25(10-8-23)21(29)16-13-19(27)24-18-6-4-3-5-15(16)18/h3-6,16-17H,7-14H2,1-2H3,(H,24,27)
InChIKeyPAPHTJJVBOEDGI-UHFFFAOYSA-N
MW459.50 g/mol
LogP1.07
Rot. Bonds6

About methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 56852008) has the molecular formula C23H29N3O7 and a molecular weight of 459.50 g/mol. Its IUPAC name is methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID56852008
Molecular FormulaC23H29N3O7
Molecular Weight459.50 g/mol
Exact Mass459.20
IUPAC Namemethyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOCCON1C(=O)CC(C(=O)OC)C12CCN(C(=O)C1CC(=O)Nc3ccccc31)CC2
InChIInChI=1S/C23H29N3O7/c1-31-11-12-33-26-20(28)14-17(22(30)32-2)23(26)7-9-25(10-8-23)21(29)16-13-19(27)24-18-6-4-3-5-15(16)18/h3-6,16-17H,7-14H2,1-2H3,(H,24,27)
InChIKeyPAPHTJJVBOEDGI-UHFFFAOYSA-N
XLogP1.07
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715065
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119251146
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95578987
methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687356
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 56816786
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119664135
methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715385

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 56852008) is methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is COCCON1C(=O)CC(C(=O)OC)C12CCN(C(=O)C1CC(=O)Nc3ccccc31)CC2.
What is the InChIKey of methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is PAPHTJJVBOEDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7/c1-31-11-12-33-26-20(28)14-17(22(30)32-2)23(26)7-9-25(10-8-23)21(29)16-13-19(27)24-18-6-4-3-5-15(16)18/h3-6,16-17H,7-14H2,1-2H3,(H,24,27).
What are the key properties of methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 459.50 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 56852008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).