methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate

C18H12BrN3O2 — CID 68598922

IUPACmethyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3ccc4cccc(Br)c4n3)cnc2c1
InChIInChI=1S/C18H12BrN3O2/c1-24-18(23)12-7-8-22-15(10-20-16(22)9-12)14-6-5-11-3-2-4-13(19)17(11)21-14/h2-10H,1H3
InChIKeyDOTDPBGGDHABBG-UHFFFAOYSA-N
MW382.22 g/mol
LogP4.10
Rot. Bonds2

About methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate

methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 68598922) has the molecular formula C18H12BrN3O2 and a molecular weight of 382.22 g/mol. Its IUPAC name is methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID68598922
Molecular FormulaC18H12BrN3O2
Molecular Weight382.22 g/mol
Exact Mass381.01
IUPAC Namemethyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3ccc4cccc(Br)c4n3)cnc2c1
InChIInChI=1S/C18H12BrN3O2/c1-24-18(23)12-7-8-22-15(10-20-16(22)9-12)14-6-5-11-3-2-4-13(19)17(11)21-14/h2-10H,1H3
InChIKeyDOTDPBGGDHABBG-UHFFFAOYSA-N
XLogP4.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 68601300
8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
CID 68603193
methyl 3-(2-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 155234885
3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 141221336
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 142565317
methyl 3-[6-[[(3S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 163784857
[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl] trifluoromethanesulfonate
CID 86642347
methyl 3-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 171789291
methyl 2-(2-bromophenyl)quinoline-7-carboxylate
CID 169130575
(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine
CID 59363494
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline
CID 59176341
methyl 5-phenylimidazo[1,2-a]pyridine-7-carboxylate
CID 66687377

Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate (CID 68598922) is methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-c3ccc4cccc(Br)c4n3)cnc2c1.
What is the InChIKey of methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is DOTDPBGGDHABBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O2/c1-24-18(23)12-7-8-22-15(10-20-16(22)9-12)14-6-5-11-3-2-4-13(19)17(11)21-14/h2-10H,1H3.
What are the key properties of methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 382.22 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 68598922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).