1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one

C16H16ClNO2 — CID 11630667

IUPAC1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one
SMILESCCC(=O)c1ccn2c1-c1cc(OC)c(Cl)cc1CC2
InChIInChI=1S/C16H16ClNO2/c1-3-14(19)11-5-7-18-6-4-10-8-13(17)15(20-2)9-12(10)16(11)18/h5,7-9H,3-4,6H2,1-2H3
InChIKeyIYKLBFVYXDLISU-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.97
Rot. Bonds3

About 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one

1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one (PubChem CID 11630667) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one
PubChem CID11630667
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one
SMILESCCC(=O)c1ccn2c1-c1cc(OC)c(Cl)cc1CC2
InChIInChI=1S/C16H16ClNO2/c1-3-14(19)11-5-7-18-6-4-10-8-13(17)15(20-2)9-12(10)16(11)18/h5,7-9H,3-4,6H2,1-2H3
InChIKeyIYKLBFVYXDLISU-UHFFFAOYSA-N
XLogP3.97
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one with MolForge

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Related Compounds

8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
CID 57077858
cyclopropyl-[8-(difluoromethoxy)-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl]methanone
CID 11602414
1-(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 110672815
ethyl 2-(2-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 20823058
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one
CID 14845147
ethyl 2-(3,5-dichlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 20823061
1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone
CID 43228016
1-[4-(2,5-dichloro-4-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805791
2-(4-chloro-2,5-dimethoxyanilino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 47005253
4-[7-methoxy-2-(2-methylpropyl)-3,4-dihydro-1,2-benzoxazin-6-yl]-4-oxobutanoic acid
CID 70059913

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one?
The IUPAC name of 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one (CID 11630667) is 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one?
The canonical SMILES for 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one is CCC(=O)c1ccn2c1-c1cc(OC)c(Cl)cc1CC2.
What is the InChIKey of 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one?
The InChIKey is IYKLBFVYXDLISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-14(19)11-5-7-18-6-4-10-8-13(17)15(20-2)9-12(10)16(11)18/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one?
1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one has a molecular weight of 289.76 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)propan-1-one is sourced from PubChem (CID 11630667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).