2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone

C22H23ClN2O3 — CID 8716293

IUPAC2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
SMILESCc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1C[C@H]1CCCO1
InChIInChI=1S/C22H23ClN2O3/c1-14-11-18(15(2)25(14)12-16-5-4-10-27-16)20(26)13-28-21-8-7-19(23)17-6-3-9-24-22(17)21/h3,6-9,11,16H,4-5,10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyZQVNZAXRRPTNNX-MRXNPFEDSA-N
MW398.89 g/mol
LogP4.75
Rot. Bonds6

About 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone

2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone (PubChem CID 8716293) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
PubChem CID8716293
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
SMILESCc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1C[C@H]1CCCO1
InChIInChI=1S/C22H23ClN2O3/c1-14-11-18(15(2)25(14)12-16-5-4-10-27-16)20(26)13-28-21-8-7-19(23)17-6-3-9-24-22(17)21/h3,6-9,11,16H,4-5,10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyZQVNZAXRRPTNNX-MRXNPFEDSA-N
XLogP4.75
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 7652892
2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8716327
5-chloro-2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]benzamide
CID 17477073
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2593762
2-(2-bromo-4-fluorophenoxy)-1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 34650775
[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 3654647
2-[4-(4-chlorobenzoyl)phenoxy]-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone
CID 5162740
1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(3-methylquinoxalin-2-yl)oxyethanone
CID 4781859
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2659525
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2659998
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2659415
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803740

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone (CID 8716293) is 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone is Cc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1C[C@H]1CCCO1.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone?
The InChIKey is ZQVNZAXRRPTNNX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-14-11-18(15(2)25(14)12-16-5-4-10-27-16)20(26)13-28-21-8-7-19(23)17-6-3-9-24-22(17)21/h3,6-9,11,16H,4-5,10,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone?
2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone has a molecular weight of 398.89 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 8716293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).