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'}

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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).