ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate

C19H17N3O6 — CID 140700753

IUPACethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate
SMILESCCOC(=O)c1nc2cc(-c3c(C)noc3C)c(OC)cc2c2[nH]c(=O)oc12
InChIInChI=1S/C19H17N3O6/c1-5-26-18(23)16-17-15(21-19(24)27-17)10-7-13(25-4)11(6-12(10)20-16)14-8(2)22-28-9(14)3/h6-7H,5H2,1-4H3,(H,21,24)
InChIKeyKIOHPTRQAIALLE-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.13
Rot. Bonds4

About ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate

ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate (PubChem CID 140700753) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate
PubChem CID140700753
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Nameethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate
SMILESCCOC(=O)c1nc2cc(-c3c(C)noc3C)c(OC)cc2c2[nH]c(=O)oc12
InChIInChI=1S/C19H17N3O6/c1-5-26-18(23)16-17-15(21-19(24)27-17)10-7-13(25-4)11(6-12(10)20-16)14-8(2)22-28-9(14)3/h6-7H,5H2,1-4H3,(H,21,24)
InChIKeyKIOHPTRQAIALLE-UHFFFAOYSA-N
XLogP3.13
TPSA120.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid
CID 136640897
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine
CID 144545948
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
CID 118863709
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
CID 89426764
1-(cyclohexylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 52935407
ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060108
[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2-ethoxy-2-oxoethyl)amino]-5-methoxyphenyl]-oxidoazanium iodide
CID 163594397
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-5-methoxy-2-(methylideneamino)-1H-indol-3-yl]ethanone
CID 118348586
4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
CID 70691698
4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 118340553
methyl 8-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethyl-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 131974225

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate?
The IUPAC name of ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate (CID 140700753) is ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate.
What is the SMILES notation for ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate?
The canonical SMILES for ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate is CCOC(=O)c1nc2cc(-c3c(C)noc3C)c(OC)cc2c2[nH]c(=O)oc12.
What is the InChIKey of ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate?
The InChIKey is KIOHPTRQAIALLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-5-26-18(23)16-17-15(21-19(24)27-17)10-7-13(25-4)11(6-12(10)20-16)14-8(2)22-28-9(14)3/h6-7H,5H2,1-4H3,(H,21,24).
What are the key properties of ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate?
ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate has a molecular weight of 383.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate is sourced from PubChem (CID 140700753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).