3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one

C18H18ClNO — CID 11460772

IUPAC3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one
SMILESCC1(C)CC(=O)c2cc3n(c2C1)CCc1cc(Cl)ccc1-3
InChIInChI=1S/C18H18ClNO/c1-18(2)9-16-14(17(21)10-18)8-15-13-4-3-12(19)7-11(13)5-6-20(15)16/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeySXSHQOPJDZBLTC-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.52
Rot. Bonds

About 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one

3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one (PubChem CID 11460772) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one.

Molecular Properties

Compound Name3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one
PubChem CID11460772
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one
SMILESCC1(C)CC(=O)c2cc3n(c2C1)CCc1cc(Cl)ccc1-3
InChIInChI=1S/C18H18ClNO/c1-18(2)9-16-14(17(21)10-18)8-15-13-4-3-12(19)7-11(13)5-6-20(15)16/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeySXSHQOPJDZBLTC-UHFFFAOYSA-N
XLogP4.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one with MolForge

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Related Compounds

Jwh-303
CID 44397333
Jwh-207
CID 44397533
1-(4-chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
CID 977314
(4-Chloronaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 71450642
(4-Chloronaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
CID 71450643
(1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl)(phenyl)methanone
CID 44570768
(8-Chloronaphthalen-1-yl)(2-methyl-1-propyl-1H-indol-3-yl)methanone
CID 71463153
(8-Chloronaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
CID 71463155
3-(4-chlorophenyl)-1-[(E)-2-(dimethylamino)vinyl]benzo[g]isoquinoline-5,10-dione
CID 72374936
9,9-Dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one
CID 11254116
6H-Pyrrolo(3,2,1-ij)quinolin-6-one, 4,5-dihydro-8-chloro-2-methyl-1-phenyl-
CID 3041119
1,3-Propanedione, 1-(4-chlorophenyl)-3-(1-methyl-2-phenyl-1H-indol-3-yl)-
CID 3046553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one?
The IUPAC name of 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one (CID 11460772) is 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one.
What is the SMILES notation for 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one?
The canonical SMILES for 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one is CC1(C)CC(=O)c2cc3n(c2C1)CCc1cc(Cl)ccc1-3.
What is the InChIKey of 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one?
The InChIKey is SXSHQOPJDZBLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-18(2)9-16-14(17(21)10-18)8-15-13-4-3-12(19)7-11(13)5-6-20(15)16/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one?
3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one has a molecular weight of 299.80 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one is sourced from PubChem (CID 11460772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).