1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one

C17H16N2O — CID 79098174

IUPAC1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C17H16N2O/c1-2-16(20)14-8-10-19(11-14)12-15-6-3-5-13-7-4-9-18-17(13)15/h3-11H,2,12H2,1H3
InChIKeyKVCFFUZEBIZBIQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.68
Rot. Bonds4

About 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one

1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one (PubChem CID 79098174) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
PubChem CID79098174
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C17H16N2O/c1-2-16(20)14-8-10-19(11-14)12-15-6-3-5-13-7-4-9-18-17(13)15/h3-11H,2,12H2,1H3
InChIKeyKVCFFUZEBIZBIQ-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108258
N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine
CID 79098765
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66404673
8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
6-quinolin-8-ylhexan-3-one
CID 132571149
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
1-(1,10-phenanthrolin-2-yl)propan-1-one
CID 71741494
ethyl 2-quinolin-8-ylacetate
CID 52562898
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one?
The IUPAC name of 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one (CID 79098174) is 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one is CCC(=O)c1ccn(Cc2cccc3cccnc23)c1.
What is the InChIKey of 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one?
The InChIKey is KVCFFUZEBIZBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-16(20)14-8-10-19(11-14)12-15-6-3-5-13-7-4-9-18-17(13)15/h3-11H,2,12H2,1H3.
What are the key properties of 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one?
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one has a molecular weight of 264.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 79098174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).