(5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate

C17H15ClN2O4 — CID 71942164

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate
SMILESCCn1cc(C(=O)OCc2cc(C)on2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O4/c1-3-20-8-14(16(21)13-7-11(18)4-5-15(13)20)17(22)23-9-12-6-10(2)24-19-12/h4-8H,3,9H2,1-2H3
InChIKeyKSWWYHUQTXXNLM-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.33
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate (PubChem CID 71942164) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate
PubChem CID71942164
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate
SMILESCCn1cc(C(=O)OCc2cc(C)on2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O4/c1-3-20-8-14(16(21)13-7-11(18)4-5-15(13)20)17(22)23-9-12-6-10(2)24-19-12/h4-8H,3,9H2,1-2H3
InChIKeyKSWWYHUQTXXNLM-UHFFFAOYSA-N
XLogP3.33
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 6-chloro-4-oxo-1-prop-2-enylquinoline-3-carboxylate
CID 166001599
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 75517462
(5-methyl-1,2-oxazol-3-yl)methyl 2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoate
CID 75413588
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one
CID 154780525
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
CID 17423867
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577
6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463999
ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
CID 141190183

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate (CID 71942164) is (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate is CCn1cc(C(=O)OCc2cc(C)on2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate?
The InChIKey is KSWWYHUQTXXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-3-20-8-14(16(21)13-7-11(18)4-5-15(13)20)17(22)23-9-12-6-10(2)24-19-12/h4-8H,3,9H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate has a molecular weight of 346.77 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 71942164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).