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

C19H17BrN2O2 — CID 10738843

IUPAC9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
SMILESCOCc1cc(=O)c2c(C)c3[nH]c4ccc(Br)cc4c3c(C)c2[nH]1
InChIInChI=1S/C19H17BrN2O2/c1-9-16-13-6-11(20)4-5-14(13)22-18(16)10(2)17-15(23)7-12(8-24-3)21-19(9)17/h4-7,22H,8H2,1-3H3,(H,21,23)
InChIKeyXSSXEESVDHJVMK-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.69
Rot. Bonds2

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

9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one (PubChem CID 10738843) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one.

Molecular Properties

Compound Name9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
PubChem CID10738843
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
SMILESCOCc1cc(=O)c2c(C)c3[nH]c4ccc(Br)cc4c3c(C)c2[nH]1
InChIInChI=1S/C19H17BrN2O2/c1-9-16-13-6-11(20)4-5-14(13)22-18(16)10(2)17-15(23)7-12(8-24-3)21-19(9)17/h4-7,22H,8H2,1-3H3,(H,21,23)
InChIKeyXSSXEESVDHJVMK-UHFFFAOYSA-N
XLogP4.69
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one?
The IUPAC name of 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one (CID 10738843) is 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one.
What is the SMILES notation for 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one?
The canonical SMILES for 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one is COCc1cc(=O)c2c(C)c3[nH]c4ccc(Br)cc4c3c(C)c2[nH]1.
What is the InChIKey of 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one?
The InChIKey is XSSXEESVDHJVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-9-16-13-6-11(20)4-5-14(13)22-18(16)10(2)17-15(23)7-12(8-24-3)21-19(9)17/h4-7,22H,8H2,1-3H3,(H,21,23).
What are the key properties of 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one?
9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one has a molecular weight of 385.26 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one is sourced from PubChem (CID 10738843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).