ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate

C18H21ClN2O4 — CID 141190183

IUPACethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(Cl)c(N3CCOCC3)cc2c1=O
InChIInChI=1S/C18H21ClN2O4/c1-3-20-11-13(18(23)25-4-2)17(22)12-9-16(14(19)10-15(12)20)21-5-7-24-8-6-21/h9-11H,3-8H2,1-2H3
InChIKeyJYUVOJFRYMKMRP-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.69
Rot. Bonds4

About ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate

ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate (PubChem CID 141190183) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
PubChem CID141190183
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Nameethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(Cl)c(N3CCOCC3)cc2c1=O
InChIInChI=1S/C18H21ClN2O4/c1-3-20-11-13(18(23)25-4-2)17(22)12-9-16(14(19)10-15(12)20)21-5-7-24-8-6-21/h9-11H,3-8H2,1-2H3
InChIKeyJYUVOJFRYMKMRP-UHFFFAOYSA-N
XLogP2.69
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210
3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
CID 127052342
ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 14287951
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
6-chloro-1-ethyl-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 13320450
2-morpholin-4-ylethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 15048132
6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylic acid;ethyl 6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylate;methane;phosphane
CID 163541939
3-(1,3-benzoxazol-2-yl)-7-chloro-1-ethyl-6-morpholin-4-ylquinolin-4-one
CID 141190188
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 141190200

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate (CID 141190183) is ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(Cl)c(N3CCOCC3)cc2c1=O.
What is the InChIKey of ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate?
The InChIKey is JYUVOJFRYMKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-3-20-11-13(18(23)25-4-2)17(22)12-9-16(14(19)10-15(12)20)21-5-7-24-8-6-21/h9-11H,3-8H2,1-2H3.
What are the key properties of ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate?
ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate has a molecular weight of 364.83 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 141190183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).