1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one

C18H17NO2 — CID 164946208

IUPAC1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one
SMILESCCC(=O)c1cc(C(=O)CC)n2ccc3ccccc3c12
InChIInChI=1S/C18H17NO2/c1-3-16(20)14-11-15(17(21)4-2)19-10-9-12-7-5-6-8-13(12)18(14)19/h5-11H,3-4H2,1-2H3
InChIKeyLSWZLFXVKUXTMZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.28
Rot. Bonds4

About 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one

1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one (PubChem CID 164946208) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one
PubChem CID164946208
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one
SMILESCCC(=O)c1cc(C(=O)CC)n2ccc3ccccc3c12
InChIInChI=1S/C18H17NO2/c1-3-16(20)14-11-15(17(21)4-2)19-10-9-12-7-5-6-8-13(12)18(14)19/h5-11H,3-4H2,1-2H3
InChIKeyLSWZLFXVKUXTMZ-UHFFFAOYSA-N
XLogP4.28
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,4,5-trimethoxybenzoyl)pyrrolo[2,1-a]isoquinolin-1-yl]ethanone
CID 171714424
methyl 3-(1-methoxycarbonylpyrrolo[2,1-a]isoquinolin-3-yl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 25189390
1-[3-(3-nitrobenzoyl)pyrrolo[2,1-a]isoquinolin-1-yl]ethanone
CID 102218319
ethyl 3-(5-bromothiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 139234268
methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287162
methyl 3-phenylpyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287158
ethyl 3-[5-(4-methoxyphenyl)thiophene-2-carbonyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 139234271
1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
CID 102351912
ethyl 3-(5-thiophen-3-ylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 139234273
1-cyano-N-(2,5-dimethylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 3731915
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylpropan-1-one
CID 174507972
1-(3-pyrazol-1-ylnaphthalen-2-yl)propan-1-one
CID 11139548

Frequently Asked Questions

What is the IUPAC name of 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one?
The IUPAC name of 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one (CID 164946208) is 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one?
The canonical SMILES for 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one is CCC(=O)c1cc(C(=O)CC)n2ccc3ccccc3c12.
What is the InChIKey of 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one?
The InChIKey is LSWZLFXVKUXTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-16(20)14-11-15(17(21)4-2)19-10-9-12-7-5-6-8-13(12)18(14)19/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one?
1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one is sourced from PubChem (CID 164946208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).