6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

C26H33N3O4 — CID 55531436

IUPAC6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)ccc2N1
InChIInChI=1S/C26H33N3O4/c30-23-4-1-20-12-21(2-3-22(20)27-23)33-16-24(31)28-5-7-29(8-6-28)25(32)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-3,12,17-19H,1,4-11,13-16H2,(H,27,30)
InChIKeyJVWJDNOEZWCQCG-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.84
Rot. Bonds4

About 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 55531436) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID55531436
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)ccc2N1
InChIInChI=1S/C26H33N3O4/c30-23-4-1-20-12-21(2-3-22(20)27-23)33-16-24(31)28-5-7-29(8-6-28)25(32)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-3,12,17-19H,1,4-11,13-16H2,(H,27,30)
InChIKeyJVWJDNOEZWCQCG-UHFFFAOYSA-N
XLogP2.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24650648
7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880259
6-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 51128978
N-(1-adamantyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24650546
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 51292586
6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167855339
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 38447579
6-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652390
6-(5-oxo-5-piperazin-1-ylpentoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70505703
6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652382
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 55531436) is 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)ccc2N1.
What is the InChIKey of 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JVWJDNOEZWCQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c30-23-4-1-20-12-21(2-3-22(20)27-23)33-16-24(31)28-5-7-29(8-6-28)25(32)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-3,12,17-19H,1,4-11,13-16H2,(H,27,30).
What are the key properties of 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 451.57 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 55531436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).