9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one

C20H19BrN2O — CID 10524008

IUPAC9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
SMILESCCCc1cc(=O)c2c(C)c3[nH]c4ccc(Br)cc4c3c(C)c2[nH]1
InChIInChI=1S/C20H19BrN2O/c1-4-5-13-9-16(24)18-11(3)19-17(10(2)20(18)22-13)14-8-12(21)6-7-15(14)23-19/h6-9,23H,4-5H2,1-3H3,(H,22,24)
InChIKeyKJKQUIAEGYRFIL-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.49
Rot. Bonds2

About 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one

9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one (PubChem CID 10524008) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one.

Molecular Properties

Compound Name9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
PubChem CID10524008
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
SMILESCCCc1cc(=O)c2c(C)c3[nH]c4ccc(Br)cc4c3c(C)c2[nH]1
InChIInChI=1S/C20H19BrN2O/c1-4-5-13-9-16(24)18-11(3)19-17(10(2)20(18)22-13)14-8-12(21)6-7-15(14)23-19/h6-9,23H,4-5H2,1-3H3,(H,22,24)
InChIKeyKJKQUIAEGYRFIL-UHFFFAOYSA-N
XLogP5.49
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one 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

9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
CID 10738843
6-bromo-2-butyl-1H-quinolin-4-one
CID 155408645
2-ethyl-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
CID 14916565
6,8-dibromo-2-propyl-1H-quinolin-4-one
CID 61477841
ethyl 3-(9-bromo-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanoate
CID 10789931
3,6-dibromo-1-ethyl-9H-carbazole
CID 172559525
6-bromo-2-(butylamino)-1H-quinolin-4-one
CID 11055513
6-bromo-1,4-dimethyl-3-nitro-9H-carbazole;6-bromo-9-ethyl-1,4-dimethyl-3-nitrocarbazole
CID 160511075
8-fluoro-2-propyl-1H-quinolin-4-one
CID 39346190
6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82249314
7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione
CID 89336176
17-bromo-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 88867954

Frequently Asked Questions

What is the IUPAC name of 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one?
The IUPAC name of 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one (CID 10524008) is 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one.
What is the SMILES notation for 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one?
The canonical SMILES for 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one is CCCc1cc(=O)c2c(C)c3[nH]c4ccc(Br)cc4c3c(C)c2[nH]1.
What is the InChIKey of 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one?
The InChIKey is KJKQUIAEGYRFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-4-5-13-9-16(24)18-11(3)19-17(10(2)20(18)22-13)14-8-12(21)6-7-15(14)23-19/h6-9,23H,4-5H2,1-3H3,(H,22,24).
What are the key properties of 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one?
9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one has a molecular weight of 383.29 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one is sourced from PubChem (CID 10524008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).