8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione

C18H13BrClN3O2 — CID 169263728

IUPAC8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione
SMILESCN(C)Cc1ccc2nc3n(c(=O)c2c1Cl)-c1ccc(Br)cc1C3=O
InChIInChI=1S/C18H13BrClN3O2/c1-22(2)8-9-3-5-12-14(15(9)20)18(25)23-13-6-4-10(19)7-11(13)16(24)17(23)21-12/h3-7H,8H2,1-2H3
InChIKeyWJQVWEPQQQSOOM-UHFFFAOYSA-N
MW418.68 g/mol
LogP3.41
Rot. Bonds2

About 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione

8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione (PubChem CID 169263728) has the molecular formula C18H13BrClN3O2 and a molecular weight of 418.68 g/mol. Its IUPAC name is 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione
PubChem CID169263728
Molecular FormulaC18H13BrClN3O2
Molecular Weight418.68 g/mol
Exact Mass416.99
IUPAC Name8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione
SMILESCN(C)Cc1ccc2nc3n(c(=O)c2c1Cl)-c1ccc(Br)cc1C3=O
InChIInChI=1S/C18H13BrClN3O2/c1-22(2)8-9-3-5-12-14(15(9)20)18(25)23-13-6-4-10(19)7-11(13)16(24)17(23)21-12/h3-7H,8H2,1-2H3
InChIKeyWJQVWEPQQQSOOM-UHFFFAOYSA-N
XLogP3.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione (CID 169263728) is 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione is CN(C)Cc1ccc2nc3n(c(=O)c2c1Cl)-c1ccc(Br)cc1C3=O.
What is the InChIKey of 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is WJQVWEPQQQSOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O2/c1-22(2)8-9-3-5-12-14(15(9)20)18(25)23-13-6-4-10(19)7-11(13)16(24)17(23)21-12/h3-7H,8H2,1-2H3.
What are the key properties of 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione?
8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 418.68 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 169263728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).