2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide

C21H13N3O4 — CID 11843000

IUPAC2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide
SMILESNC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C21H13N3O4/c22-19(26)11-4-2-1-3-10(11)12-8-15-16(18-17(12)20(27)24-21(18)28)13-7-9(25)5-6-14(13)23-15/h1-8,23,25H,(H2,22,26)(H,24,27,28)
InChIKeyBDYKPQNWMJIKON-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.68
Rot. Bonds2

About 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide

2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide (PubChem CID 11843000) has the molecular formula C21H13N3O4 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide
PubChem CID11843000
Molecular FormulaC21H13N3O4
Molecular Weight371.35 g/mol
Exact Mass371.09
IUPAC Name2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide
SMILESNC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C21H13N3O4/c22-19(26)11-4-2-1-3-10(11)12-8-15-16(18-17(12)20(27)24-21(18)28)13-7-9(25)5-6-14(13)23-15/h1-8,23,25H,(H2,22,26)(H,24,27,28)
InChIKeyBDYKPQNWMJIKON-UHFFFAOYSA-N
XLogP2.68
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

BE 13793C
CID 9928668
9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
CID 4369491
GW296115X
CID 5482344
3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid
CID 9978312
9-Hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo(3,4-C)carbazole-1,3(2H,6H)-dione
CID 10364585
Indolocarbazole deriv. 3c
CID 5327850
Indolocarbazole deriv. 3f
CID 5327853
(5-hydroxy-1H-indol-2-yl)(1H-indol-2-yl)methanone
CID 5330535
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3t
CID 5330738
Wee1 Inhibitor
CID 10384072
Flt-3 Inhibitor II
CID 11601743
9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11844342

Frequently Asked Questions

What is the IUPAC name of 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide?
The IUPAC name of 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide (CID 11843000) is 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide.
What is the SMILES notation for 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide?
The canonical SMILES for 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide is NC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O.
What is the InChIKey of 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide?
The InChIKey is BDYKPQNWMJIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O4/c22-19(26)11-4-2-1-3-10(11)12-8-15-16(18-17(12)20(27)24-21(18)28)13-7-9(25)5-6-14(13)23-15/h1-8,23,25H,(H2,22,26)(H,24,27,28).
What are the key properties of 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide?
2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide has a molecular weight of 371.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-hydroxy-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-4-yl)benzamide is sourced from PubChem (CID 11843000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).