1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone

C19H18N2O2 — CID 940068

IUPAC1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone
SMILESCC(=O)c1c(C(C)=O)c(C)n(-c2cccc3cccnc23)c1C
InChIInChI=1S/C19H18N2O2/c1-11-17(13(3)22)18(14(4)23)12(2)21(11)16-9-5-7-15-8-6-10-20-19(15)16/h5-10H,1-4H3
InChIKeyYHCBWNXBJITCDQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.05
Rot. Bonds3

About 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone

1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone (PubChem CID 940068) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone
PubChem CID940068
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone
SMILESCC(=O)c1c(C(C)=O)c(C)n(-c2cccc3cccnc23)c1C
InChIInChI=1S/C19H18N2O2/c1-11-17(13(3)22)18(14(4)23)12(2)21(11)16-9-5-7-15-8-6-10-20-19(15)16/h5-10H,1-4H3
InChIKeyYHCBWNXBJITCDQ-UHFFFAOYSA-N
XLogP4.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone (CID 940068) is 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone is CC(=O)c1c(C(C)=O)c(C)n(-c2cccc3cccnc23)c1C.
What is the InChIKey of 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone?
The InChIKey is YHCBWNXBJITCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-17(13(3)22)18(14(4)23)12(2)21(11)16-9-5-7-15-8-6-10-20-19(15)16/h5-10H,1-4H3.
What are the key properties of 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone?
1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone has a molecular weight of 306.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-2,5-dimethyl-1-quinolin-8-ylpyrrol-3-yl)ethanone is sourced from PubChem (CID 940068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).