[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate

C28H26N2O5 — CID 41237356

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
SMILESCc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C28H26N2O5/c1-18-24(19(2)35-29-18)16-33-26-15-22-10-4-3-9-21(22)14-23(26)28(32)34-17-27(31)30-13-7-11-20-8-5-6-12-25(20)30/h3-6,8-10,12,14-15H,7,11,13,16-17H2,1-2H3
InChIKeyRPRKLHBOIFVXFO-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.16
Rot. Bonds6

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate (PubChem CID 41237356) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
PubChem CID41237356
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
SMILESCc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C28H26N2O5/c1-18-24(19(2)35-29-18)16-33-26-15-22-10-4-3-9-21(22)14-23(26)28(32)34-17-27(31)30-13-7-11-20-8-5-6-12-25(20)30/h3-6,8-10,12,14-15H,7,11,13,16-17H2,1-2H3
InChIKeyRPRKLHBOIFVXFO-UHFFFAOYSA-N
XLogP5.16
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 41237251
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 30471712
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 41237157
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485239
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 41237328
(4-cyanophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 7744557
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 55310608
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42446751
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55753725
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate
CID 23797480
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 46533155
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846175

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate (CID 41237356) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate?
The InChIKey is RPRKLHBOIFVXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-18-24(19(2)35-29-18)16-33-26-15-22-10-4-3-9-21(22)14-23(26)28(32)34-17-27(31)30-13-7-11-20-8-5-6-12-25(20)30/h3-6,8-10,12,14-15H,7,11,13,16-17H2,1-2H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate has a molecular weight of 470.53 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 41237356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).