N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide

C25H15N3O4 — CID 14008611

IUPACN-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C25H15N3O4/c29-21-11-17-12(5-7-15-14-3-1-2-4-20(14)27-22(15)17)9-19(21)25(32)26-13-6-8-16-18(10-13)24(31)28-23(16)30/h1-11,27,29H,(H,26,32)(H,28,30,31)
InChIKeyRMGHXIHOMNQLIZ-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.32
Rot. Bonds2

About N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide

N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 14008611) has the molecular formula C25H15N3O4 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide
PubChem CID14008611
Molecular FormulaC25H15N3O4
Molecular Weight421.41 g/mol
Exact Mass421.11
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C25H15N3O4/c29-21-11-17-12(5-7-15-14-3-1-2-4-20(14)27-22(15)17)9-19(21)25(32)26-13-6-8-16-18(10-13)24(31)28-23(16)30/h1-11,27,29H,(H,26,32)(H,28,30,31)
InChIKeyRMGHXIHOMNQLIZ-UHFFFAOYSA-N
XLogP4.32
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxyphenyl)-
CID 66572
9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
CID 4369491
3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid
CID 9978312
11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxy-2-methylphenyl)-
CID 79920
Wee1 Inhibitor
CID 10384072
9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11844342
20-Methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 24971429
Arcyriaflavin C
CID 5482346
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3s
CID 5330737
3-(9-Hydroxy-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-4-yl)benzonitrile
CID 9975362
9-hydroxy-4-[2-(methylsulfanyl)phenyl]pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 9976672
4-(3-amino-2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 9976901

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide (CID 14008611) is N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is RMGHXIHOMNQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O4/c29-21-11-17-12(5-7-15-14-3-1-2-4-20(14)27-22(15)17)9-19(21)25(32)26-13-6-8-16-18(10-13)24(31)28-23(16)30/h1-11,27,29H,(H,26,32)(H,28,30,31).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 4.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 14008611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).