2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride

C20H22ClN3O3 — CID 19808807

IUPAC2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
SMILESCOc1ccc2c(c1)c1c3c(ccc1n2C)C(=O)N(CCN(C)C)C3=O.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-21(2)9-10-23-19(24)13-6-8-16-17(18(13)20(23)25)14-11-12(26-4)5-7-15(14)22(16)3;/h5-8,11H,9-10H2,1-4H3;1H
InChIKeySKYVNZWHXHHBAZ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride

2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride (PubChem CID 19808807) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
PubChem CID19808807
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
SMILESCOc1ccc2c(c1)c1c3c(ccc1n2C)C(=O)N(CCN(C)C)C3=O.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-21(2)9-10-23-19(24)13-6-8-16-17(18(13)20(23)25)14-11-12(26-4)5-7-15(14)22(16)3;/h5-8,11H,9-10H2,1-4H3;1H
InChIKeySKYVNZWHXHHBAZ-UHFFFAOYSA-N
XLogP2.92
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione
CID 6481890
2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione
CID 67003258
2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
CID 19808771
3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one
CID 4906216
6-[2-(dimethylamino)ethoxy]-2-methoxy-10-methylacridin-9-one
CID 21323242
8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
CID 162648090
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
23-[3-(dimethylamino)propyl]-7-methoxy-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 21216882
9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride
CID 138398345
10-amino-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 11724386
10-(dimethylamino)-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10570585
2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one
CID 25199416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride (CID 19808807) is 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride is COc1ccc2c(c1)c1c3c(ccc1n2C)C(=O)N(CCN(C)C)C3=O.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The InChIKey is SKYVNZWHXHHBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.ClH/c1-21(2)9-10-23-19(24)13-6-8-16-17(18(13)20(23)25)14-11-12(26-4)5-7-15(14)22(16)3;/h5-8,11H,9-10H2,1-4H3;1H.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride is sourced from PubChem (CID 19808807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).