3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

C19H19N3O2 — CID 70194627

IUPAC3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3c(N)c(N)ccc3c1C2=O
InChIInChI=1S/C19H19N3O2/c1-19(2)12-8-9(24-3)4-5-10(12)17(23)14-11-6-7-13(20)15(21)16(11)22-18(14)19/h4-8,22H,20-21H2,1-3H3
InChIKeyFPZGBTASTZURBQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds1

About 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (PubChem CID 70194627) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
PubChem CID70194627
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3c(N)c(N)ccc3c1C2=O
InChIInChI=1S/C19H19N3O2/c1-19(2)12-8-9(24-3)4-5-10(12)17(23)14-11-6-7-13(20)15(21)16(11)22-18(14)19/h4-8,22H,20-21H2,1-3H3
InChIKeyFPZGBTASTZURBQ-UHFFFAOYSA-N
XLogP3.21
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (CID 70194627) is 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is COc1ccc2c(c1)C(C)(C)c1[nH]c3c(N)c(N)ccc3c1C2=O.
What is the InChIKey of 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is FPZGBTASTZURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2)12-8-9(24-3)4-5-10(12)17(23)14-11-6-7-13(20)15(21)16(11)22-18(14)19/h4-8,22H,20-21H2,1-3H3.
What are the key properties of 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 321.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 70194627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).