2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C18H17ClN2O2 — CID 8716327

IUPAC2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1C
InChIInChI=1S/C18H17ClN2O2/c1-11-9-14(12(2)21(11)3)16(22)10-23-17-7-6-15(19)13-5-4-8-20-18(13)17/h4-9H,10H2,1-3H3
InChIKeyXRQJWBPOMPRMGU-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.11
Rot. Bonds4

About 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 8716327) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID8716327
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1C
InChIInChI=1S/C18H17ClN2O2/c1-11-9-14(12(2)21(11)3)16(22)10-23-17-7-6-15(19)13-5-4-8-20-18(13)17/h4-9H,10H2,1-3H3
InChIKeyXRQJWBPOMPRMGU-UHFFFAOYSA-N
XLogP4.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 8716327) is 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1C.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is XRQJWBPOMPRMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-9-14(12(2)21(11)3)16(22)10-23-17-7-6-15(19)13-5-4-8-20-18(13)17/h4-9H,10H2,1-3H3.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 328.80 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 8716327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).