2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one

C13H9BrN2O — CID 12562121

IUPAC2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3ccc(Br)cc3c(=O)n2c1
InChIInChI=1S/C13H9BrN2O/c1-8-2-5-12-15-11-4-3-9(14)6-10(11)13(17)16(12)7-8/h2-7H,1H3
InChIKeyLJLDNNWLODQKDV-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.92
Rot. Bonds

About 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one

2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one (PubChem CID 12562121) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
PubChem CID12562121
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3ccc(Br)cc3c(=O)n2c1
InChIInChI=1S/C13H9BrN2O/c1-8-2-5-12-15-11-4-3-9(14)6-10(11)13(17)16(12)7-8/h2-7H,1H3
InChIKeyLJLDNNWLODQKDV-UHFFFAOYSA-N
XLogP2.92
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-2-methylpyrido[2,1-b]quinazolin-11-one
CID 151157986
10-bromo-6-(4-methylphenyl)quinazolino[4,3-b]quinazolin-8-one
CID 164913475
3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 86215286
2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357524
2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione
CID 4576960
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one
CID 17395203
2-(4-bromo-2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618967
2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 24862942
6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126286380

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one (CID 12562121) is 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one is Cc1ccc2nc3ccc(Br)cc3c(=O)n2c1.
What is the InChIKey of 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one?
The InChIKey is LJLDNNWLODQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c1-8-2-5-12-15-11-4-3-9(14)6-10(11)13(17)16(12)7-8/h2-7H,1H3.
What are the key properties of 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one?
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one has a molecular weight of 289.13 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 12562121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).