(3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C18H22N2O3 — CID 138009867

IUPAC(3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCCc1nocc1C(=O)N1CCC(CCOC)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-3-16-15(12-23-19-16)18(21)20-10-8-13(9-11-22-2)14-6-4-5-7-17(14)20/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeySSOBPFJWOYYOOP-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.41
Rot. Bonds5

About (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 138009867) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID138009867
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCCc1nocc1C(=O)N1CCC(CCOC)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-3-16-15(12-23-19-16)18(21)20-10-8-13(9-11-22-2)14-6-4-5-7-17(14)20/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeySSOBPFJWOYYOOP-UHFFFAOYSA-N
XLogP3.41
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 138009867) is (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is CCc1nocc1C(=O)N1CCC(CCOC)c2ccccc21.
What is the InChIKey of (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is SSOBPFJWOYYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-16-15(12-23-19-16)18(21)20-10-8-13(9-11-22-2)14-6-4-5-7-17(14)20/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-4-yl)-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 138009867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).