ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate

C18H21BrN2O3 — CID 167118348

IUPACethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1ccnc2cc(Br)c(N3C(C)COCC3C)cc12
InChIInChI=1S/C18H21BrN2O3/c1-4-24-18(22)13-5-6-20-16-8-15(19)17(7-14(13)16)21-11(2)9-23-10-12(21)3/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyYXIVUDRUWPINML-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.79
Rot. Bonds3

About ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate

ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate (PubChem CID 167118348) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate
PubChem CID167118348
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Nameethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1ccnc2cc(Br)c(N3C(C)COCC3C)cc12
InChIInChI=1S/C18H21BrN2O3/c1-4-24-18(22)13-5-6-20-16-8-15(19)17(7-14(13)16)21-11(2)9-23-10-12(21)3/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyYXIVUDRUWPINML-UHFFFAOYSA-N
XLogP3.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-bromo-7-methoxyquinoline-6-carboxylate
CID 122705966
ethyl 6-[3-(4-methylphenyl)azetidin-1-yl]quinoline-4-carboxylate
CID 164533160
ethyl 3-amino-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylate
CID 79325861
ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-4-carboxylate
CID 131748169
ethyl 6-bromoquinoline-4-carboxylate;ethyl 6-[3-(4-fluorophenyl)azetidin-1-yl]quinoline-4-carboxylate
CID 175744987
diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride
CID 54602049
ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride
CID 131882963
ethyl 8-bromo-4-[methyl(oxetan-3-yl)amino]quinoline-3-carboxylate
CID 134511540
ethyl 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylate
CID 154703458
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate?
The IUPAC name of ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate (CID 167118348) is ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate.
What is the SMILES notation for ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate?
The canonical SMILES for ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate is CCOC(=O)c1ccnc2cc(Br)c(N3C(C)COCC3C)cc12.
What is the InChIKey of ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate?
The InChIKey is YXIVUDRUWPINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-4-24-18(22)13-5-6-20-16-8-15(19)17(7-14(13)16)21-11(2)9-23-10-12(21)3/h5-8,11-12H,4,9-10H2,1-3H3.
What are the key properties of ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate?
ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate has a molecular weight of 393.28 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-6-(3,5-dimethylmorpholin-4-yl)quinoline-4-carboxylate is sourced from PubChem (CID 167118348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).