[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate

C21H23NO4 — CID 2680521

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H23NO4/c1-15(2)26-18-11-9-17(10-12-18)21(24)25-14-20(23)22-13-5-7-16-6-3-4-8-19(16)22/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3
InChIKeyDQHCEVLJXCWCQS-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.61
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate (PubChem CID 2680521) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate
PubChem CID2680521
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H23NO4/c1-15(2)26-18-11-9-17(10-12-18)21(24)25-14-20(23)22-13-5-7-16-6-3-4-8-19(16)22/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3
InChIKeyDQHCEVLJXCWCQS-UHFFFAOYSA-N
XLogP3.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bns-22
CID 25265819
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
4-Benzoyl-2-phenyl-4H-benzo[1,4]oxazin-3-one
CID 3254714
4-[(4-methylphenyl)carbonyl]-2-phenyl-2H-1,4-benzoxazin-3(4H)-one
CID 5157550
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 2151959
2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 2543985
Ethyl 4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylate
CID 3224121
2-Methyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3227578
N-(2-piperidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7550953
N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9169702
2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16291464

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate (CID 2680521) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The InChIKey is DQHCEVLJXCWCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15(2)26-18-11-9-17(10-12-18)21(24)25-14-20(23)22-13-5-7-16-6-3-4-8-19(16)22/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate has a molecular weight of 353.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 2680521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).