[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate

C28H36N2O5 — CID 55481645

IUPAC[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H36N2O5/c1-34-22-6-7-23-21(13-22)4-2-8-29(23)25(31)17-35-26(32)24-5-3-9-30(24)27(33)28-14-18-10-19(15-28)12-20(11-18)16-28/h6-7,13,18-20,24H,2-5,8-12,14-17H2,1H3
InChIKeyZWLVLWBLUYMLGE-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.72
Rot. Bonds5

About [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate

[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55481645) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
PubChem CID55481645
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H36N2O5/c1-34-22-6-7-23-21(13-22)4-2-8-29(23)25(31)17-35-26(32)24-5-3-9-30(24)27(33)28-14-18-10-19(15-28)12-20(11-18)16-28/h6-7,13,18-20,24H,2-5,8-12,14-17H2,1H3
InChIKeyZWLVLWBLUYMLGE-UHFFFAOYSA-N
XLogP3.72
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate with MolForge

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 55323353
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55469236
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 55998493
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 55561865
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 55468248
1-(adamantane-1-carbonyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 112790475
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 167807676
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55853548
2-(3-methylphenoxy)ethyl 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 24649931

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate (CID 55481645) is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate is COc1ccc2c(c1)CCCN2C(=O)COC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is ZWLVLWBLUYMLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-34-22-6-7-23-21(13-22)4-2-8-29(23)25(31)17-35-26(32)24-5-3-9-30(24)27(33)28-14-18-10-19(15-28)12-20(11-18)16-28/h6-7,13,18-20,24H,2-5,8-12,14-17H2,1H3.
What are the key properties of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate?
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 480.61 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55481645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).