[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate

C21H20N2O4 — CID 47015846

IUPAC[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
SMILESCC1CCc2ccccc2N1C(=O)COC(=O)Cc1noc2ccccc12
InChIInChI=1S/C21H20N2O4/c1-14-10-11-15-6-2-4-8-18(15)23(14)20(24)13-26-21(25)12-17-16-7-3-5-9-19(16)27-22-17/h2-9,14H,10-13H2,1H3
InChIKeyKXHCSOVDIUOMCU-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.28
Rot. Bonds4

About [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate

[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate (PubChem CID 47015846) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
PubChem CID47015846
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
SMILESCC1CCc2ccccc2N1C(=O)COC(=O)Cc1noc2ccccc12
InChIInChI=1S/C21H20N2O4/c1-14-10-11-15-6-2-4-8-18(15)23(14)20(24)13-26-21(25)12-17-16-7-3-5-9-19(16)27-22-17/h2-9,14H,10-13H2,1H3
InChIKeyKXHCSOVDIUOMCU-UHFFFAOYSA-N
XLogP3.28
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984292
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985377
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate
CID 46670667
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 11935461
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 55468371
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 46669285
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984144
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985512
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 46669289
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8983462
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18127121

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The IUPAC name of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate (CID 47015846) is [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate is CC1CCc2ccccc2N1C(=O)COC(=O)Cc1noc2ccccc12.
What is the InChIKey of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The InChIKey is KXHCSOVDIUOMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-10-11-15-6-2-4-8-18(15)23(14)20(24)13-26-21(25)12-17-16-7-3-5-9-19(16)27-22-17/h2-9,14H,10-13H2,1H3.
What are the key properties of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate has a molecular weight of 364.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate is sourced from PubChem (CID 47015846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).