ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate

C18H14BrFN2O3 — CID 154628504

IUPACethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(F)cc1Oc1ccc2ncc(Br)cc2c1
InChIInChI=1S/C18H14BrFN2O3/c1-2-24-18(23)8-16-17(7-13(20)10-22-16)25-14-3-4-15-11(6-14)5-12(19)9-21-15/h3-7,9-10H,2,8H2,1H3
InChIKeyDMJQKPBTUZQFLB-UHFFFAOYSA-N
MW405.22 g/mol
LogP4.43
Rot. Bonds5

About ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate

ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate (PubChem CID 154628504) has the molecular formula C18H14BrFN2O3 and a molecular weight of 405.22 g/mol. Its IUPAC name is ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate
PubChem CID154628504
Molecular FormulaC18H14BrFN2O3
Molecular Weight405.22 g/mol
Exact Mass404.02
IUPAC Nameethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(F)cc1Oc1ccc2ncc(Br)cc2c1
InChIInChI=1S/C18H14BrFN2O3/c1-2-24-18(23)8-16-17(7-13(20)10-22-16)25-14-3-4-15-11(6-14)5-12(19)9-21-15/h3-7,9-10H,2,8H2,1H3
InChIKeyDMJQKPBTUZQFLB-UHFFFAOYSA-N
XLogP4.43
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 8-(benzyloxy)-5-bromo-1,6-naphthyridine-7-carboxylate
CID 71699854
3-Bromoquinolin-6-yl acetate
CID 68530047
Quinolin-8-yl 2-(4-methoxyphenyl)acetate
CID 3309507
Methyl 5-(6-methoxyquinolin-4-yl)picolinate
CID 137637811
(3-Bromo-quinolin-6-yloxy)acetic acid methyl ester
CID 68713102
Methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate
CID 11177606
ethyl (RS)-2-({N-[(E)-3-(2,5-difluorophenyl)allyl]-N-methylamino}methyl)-5-(3-fluoro-6-methoxyquinolin-4-yl)pentanoate
CID 11533412
1-[2-(3,5-difluorophenoxy)ethyl]-4-[(3R)-3-fluoro-3-(6-methoxy-3-methylquinolin-4-yl)propyl]piperidine-4-carboxylic acid
CID 20797083
methyl 4-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]-2-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]morpholine-2-carboxylate
CID 21113231
4-[3-(3-Fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(3-fluorophenoxy)ethyl]piperidine-4-carboxylic acid
CID 22468846
Ethyl 1-[2-(2,3-difluorophenoxy)ethyl]-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]piperidine-4-carboxylate
CID 22468928
4-[3-(3-Fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 22468956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate (CID 154628504) is ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate is CCOC(=O)Cc1ncc(F)cc1Oc1ccc2ncc(Br)cc2c1.
What is the InChIKey of ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate?
The InChIKey is DMJQKPBTUZQFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O3/c1-2-24-18(23)8-16-17(7-13(20)10-22-16)25-14-3-4-15-11(6-14)5-12(19)9-21-15/h3-7,9-10H,2,8H2,1H3.
What are the key properties of ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate?
ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate has a molecular weight of 405.22 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate is sourced from PubChem (CID 154628504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).