5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C22H23N3O3 — CID 19808768

IUPAC5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCN1C(=O)c2cc(C3CCC3)c3[nH]c4ccc(O)cc4c3c2C1=O
InChIInChI=1S/C22H23N3O3/c1-24(2)8-9-25-21(27)16-11-14(12-4-3-5-12)20-18(19(16)22(25)28)15-10-13(26)6-7-17(15)23-20/h6-7,10-12,23,26H,3-5,8-9H2,1-2H3
InChIKeyLCUWEOZAXJTOMT-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.45
Rot. Bonds4

About 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 19808768) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID19808768
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCN1C(=O)c2cc(C3CCC3)c3[nH]c4ccc(O)cc4c3c2C1=O
InChIInChI=1S/C22H23N3O3/c1-24(2)8-9-25-21(27)16-11-14(12-4-3-5-12)20-18(19(16)22(25)28)15-10-13(26)6-7-17(15)23-20/h6-7,10-12,23,26H,3-5,8-9H2,1-2H3
InChIKeyLCUWEOZAXJTOMT-UHFFFAOYSA-N
XLogP3.45
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 19808811
2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
CID 19808810
2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione
CID 6481890
2-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-[1]benzothiolo[3,2-e]isoindole-1,3-dione;hydrochloride
CID 19808781
2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione
CID 101075412
4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione
CID 11646133
2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
CID 19808771
19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 44576327
2-[2-(diethylamino)ethyl]-9-hydroxy-5-methyl-[1]benzothiolo[3,2-e]isoindole-1,3-dione
CID 19808701
6,13-bis[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethynyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;dihydrochloride
CID 72712013
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 19808768) is 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is CN(C)CCN1C(=O)c2cc(C3CCC3)c3[nH]c4ccc(O)cc4c3c2C1=O.
What is the InChIKey of 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is LCUWEOZAXJTOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24(2)8-9-25-21(27)16-11-14(12-4-3-5-12)20-18(19(16)22(25)28)15-10-13(26)6-7-17(15)23-20/h6-7,10-12,23,26H,3-5,8-9H2,1-2H3.
What are the key properties of 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 377.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 19808768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).