3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid

C19H16N2O3 — CID 70193767

IUPAC3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
SMILESCC1(C)c2cc(C(=O)O)ccc2C(=O)c2c1[nH]c1cc(N)ccc21
InChIInChI=1S/C19H16N2O3/c1-19(2)13-7-9(18(23)24)3-5-11(13)16(22)15-12-6-4-10(20)8-14(12)21-17(15)19/h3-8,21H,20H2,1-2H3,(H,23,24)
InChIKeyLOFCLGRVVYFVKN-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.32
Rot. Bonds1

About 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid

3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid (PubChem CID 70193767) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid.

Molecular Properties

Compound Name3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
PubChem CID70193767
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
SMILESCC1(C)c2cc(C(=O)O)ccc2C(=O)c2c1[nH]c1cc(N)ccc21
InChIInChI=1S/C19H16N2O3/c1-19(2)13-7-9(18(23)24)3-5-11(13)16(22)15-12-6-4-10(20)8-14(12)21-17(15)19/h3-8,21H,20H2,1-2H3,(H,23,24)
InChIKeyLOFCLGRVVYFVKN-UHFFFAOYSA-N
XLogP3.32
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid 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

tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate
CID 67150090
3-amino-N-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 163989311
ethyl 2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetate
CID 70194810
3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one
CID 70194279
3-amino-8-[4-(2-hydroxyethyl)piperazin-1-yl]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 70196121
3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one
CID 70193222
3-amino-8-(2,3-dihydroxypropylsulfanyl)-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 67150011
3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
CID 70194657
3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 67127731
3-cyano-N-(1,3-dihydroxypropan-2-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834824
8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 141282919
CID 66834617
CID 66834617

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid?
The IUPAC name of 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid (CID 70193767) is 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid.
What is the SMILES notation for 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid?
The canonical SMILES for 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid is CC1(C)c2cc(C(=O)O)ccc2C(=O)c2c1[nH]c1cc(N)ccc21.
What is the InChIKey of 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid?
The InChIKey is LOFCLGRVVYFVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-19(2)13-7-9(18(23)24)3-5-11(13)16(22)15-12-6-4-10(20)8-14(12)21-17(15)19/h3-8,21H,20H2,1-2H3,(H,23,24).
What are the key properties of 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid?
3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 3.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid is sourced from PubChem (CID 70193767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).