3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one

C18H15BrN4OS — CID 165064778

IUPAC3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one
SMILESCCSc1c(-n2cnc3cc(C)ccc3c2=O)nc2ccc(Br)cn12
InChIInChI=1S/C18H15BrN4OS/c1-3-25-18-16(21-15-7-5-12(19)9-22(15)18)23-10-20-14-8-11(2)4-6-13(14)17(23)24/h4-10H,3H2,1-2H3
InChIKeyRUBHOVAVZQOMMN-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.22
Rot. Bonds3

About 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one

3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one (PubChem CID 165064778) has the molecular formula C18H15BrN4OS and a molecular weight of 415.32 g/mol. Its IUPAC name is 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one
PubChem CID165064778
Molecular FormulaC18H15BrN4OS
Molecular Weight415.32 g/mol
Exact Mass414.01
IUPAC Name3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one
SMILESCCSc1c(-n2cnc3cc(C)ccc3c2=O)nc2ccc(Br)cn12
InChIInChI=1S/C18H15BrN4OS/c1-3-25-18-16(21-15-7-5-12(19)9-22(15)18)23-10-20-14-8-11(2)4-6-13(14)17(23)24/h4-10H,3H2,1-2H3
InChIKeyRUBHOVAVZQOMMN-UHFFFAOYSA-N
XLogP4.22
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one with MolForge

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Related Compounds

3-(6-bromo-3-ethoxysulfanyloxyquinolin-2-yl)-7-methylquinazolin-4-one
CID 165084485
2-(6-bromo-3-ethoxysulfanyloxyimidazo[1,2-a]pyridin-2-yl)-6-methylisoquinolin-1-one
CID 164960572
3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406
N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide
CID 170092848
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121
7-chloro-3-(4-methylphenyl)quinazolin-4-one
CID 11334739
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
2-amino-N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-5-(trifluoromethyl)benzamide
CID 170092905
3,6-dibromo-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 165178013
2-(aminomethyl)-3,7-dimethylquinazolin-4-one
CID 84777308
3-(2-hydroxypropyl)-7-methylquinazolin-4-one
CID 117264166

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one?
The IUPAC name of 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one (CID 165064778) is 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one.
What is the SMILES notation for 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one?
The canonical SMILES for 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one is CCSc1c(-n2cnc3cc(C)ccc3c2=O)nc2ccc(Br)cn12.
What is the InChIKey of 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one?
The InChIKey is RUBHOVAVZQOMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4OS/c1-3-25-18-16(21-15-7-5-12(19)9-22(15)18)23-10-20-14-8-11(2)4-6-13(14)17(23)24/h4-10H,3H2,1-2H3.
What are the key properties of 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one?
3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one has a molecular weight of 415.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-7-methylquinazolin-4-one is sourced from PubChem (CID 165064778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).