methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate

C24H28N2O4 — CID 162265405

IUPACmethyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc2c(cc1N1CCCC1)CC(C(C)C)n1cc(C(C)=O)c(=O)cc1-2
InChIInChI=1S/C24H28N2O4/c1-14(2)20-9-16-10-21(25-7-5-6-8-25)18(24(29)30-4)11-17(16)22-12-23(28)19(15(3)27)13-26(20)22/h10-14,20H,5-9H2,1-4H3
InChIKeyLCVCOGQHQRBHJO-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.86
Rot. Bonds4

About methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate

methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate (PubChem CID 162265405) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate
PubChem CID162265405
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Namemethyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc2c(cc1N1CCCC1)CC(C(C)C)n1cc(C(C)=O)c(=O)cc1-2
InChIInChI=1S/C24H28N2O4/c1-14(2)20-9-16-10-21(25-7-5-6-8-25)18(24(29)30-4)11-17(16)22-12-23(28)19(15(3)27)13-26(20)22/h10-14,20H,5-9H2,1-4H3
InChIKeyLCVCOGQHQRBHJO-UHFFFAOYSA-N
XLogP3.86
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate with MolForge

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Related Compounds

9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
9-bromo-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 146535093
10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 155675837
9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 175080938
3-acetyl-10-methoxy-6-propan-2-yl-9-(5-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 158864659
methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
CID 142755159
(6R)-10-methoxy-9-(4-methoxybutyl)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134425727
ethyl 10-bromo-9-hydroxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 150609901
9-(3-methoxypropoxy)-2-oxo-10-(2-phenoxyethoxy)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138672874
10-(1-hydroxycyclopropyl)-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138672366
(6S)-9-[2-(4-carboxyphenyl)ethoxy]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 170602223
9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 137352029

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate?
The IUPAC name of methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate (CID 162265405) is methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate.
What is the SMILES notation for methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate?
The canonical SMILES for methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate is COC(=O)c1cc2c(cc1N1CCCC1)CC(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.
What is the InChIKey of methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate?
The InChIKey is LCVCOGQHQRBHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-14(2)20-9-16-10-21(25-7-5-6-8-25)18(24(29)30-4)11-17(16)22-12-23(28)19(15(3)27)13-26(20)22/h10-14,20H,5-9H2,1-4H3.
What are the key properties of methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate?
methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate is sourced from PubChem (CID 162265405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).