cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone

C20H23NO3 — CID 11638420

IUPACcyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone
SMILESCOc1cc2c(cc1OC)C(C)C(C)n1ccc(C(=O)C3CC3)c1-2
InChIInChI=1S/C20H23NO3/c1-11-12(2)21-8-7-14(20(22)13-5-6-13)19(21)16-10-18(24-4)17(23-3)9-15(11)16/h7-13H,5-6H2,1-4H3
InChIKeyNWCQPQZJKTYRPM-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.44
Rot. Bonds4

About cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone

cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone (PubChem CID 11638420) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone
PubChem CID11638420
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namecyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone
SMILESCOc1cc2c(cc1OC)C(C)C(C)n1ccc(C(=O)C3CC3)c1-2
InChIInChI=1S/C20H23NO3/c1-11-12(2)21-8-7-14(20(22)13-5-6-13)19(21)16-10-18(24-4)17(23-3)9-15(11)16/h7-13H,5-6H2,1-4H3
InChIKeyNWCQPQZJKTYRPM-UHFFFAOYSA-N
XLogP4.44
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone with MolForge

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Related Compounds

cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone
CID 11695326
cyclopropyl-[8-(difluoromethoxy)-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl]methanone
CID 11602414
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone
CID 116809969
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone?
The IUPAC name of cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone (CID 11638420) is cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone is COc1cc2c(cc1OC)C(C)C(C)n1ccc(C(=O)C3CC3)c1-2.
What is the InChIKey of cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone?
The InChIKey is NWCQPQZJKTYRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-11-12(2)21-8-7-14(20(22)13-5-6-13)19(21)16-10-18(24-4)17(23-3)9-15(11)16/h7-13H,5-6H2,1-4H3.
What are the key properties of cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone?
cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(8,9-dimethoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone is sourced from PubChem (CID 11638420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).