4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline

C13H13FN4 — CID 164758216

IUPAC4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline
SMILESCC(C)c1ncnc2c(F)c3ncn(C)c3cc12
InChIInChI=1S/C13H13FN4/c1-7(2)11-8-4-9-13(17-6-18(9)3)10(14)12(8)16-5-15-11/h4-7H,1-3H3
InChIKeyMUABRUXQYADXGZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.78
Rot. Bonds1

About 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline

4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline (PubChem CID 164758216) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline.

Molecular Properties

Compound Name4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline
PubChem CID164758216
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline
SMILESCC(C)c1ncnc2c(F)c3ncn(C)c3cc12
InChIInChI=1S/C13H13FN4/c1-7(2)11-8-4-9-13(17-6-18(9)3)10(14)12(8)16-5-15-11/h4-7H,1-3H3
InChIKeyMUABRUXQYADXGZ-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 168917056
1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone
CID 89387906
7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one
CID 164757976
4-ethyl-1-methyl-6-propan-2-ylbenzimidazole
CID 129263193
3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine
CID 164758112
7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine
CID 164757921
4,6-difluoro-1-methylbenzimidazole-5-carbaldehyde;5-ethenyl-4,6-difluoro-1-methylbenzimidazole;methane
CID 144737457
7,8-difluoro-5-propan-2-ylquinoline
CID 166491545
4,5,6,7-tetrafluoro-1-methylbenzimidazole
CID 122222869
5-fluoro-1-methyl-3-propan-2-ylindazole
CID 118489326
ethane;5-fluoro-1-methyl-3,6-di(propan-2-yl)indazole
CID 170569644
3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine
CID 176703130

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline?
The IUPAC name of 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline (CID 164758216) is 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline.
What is the SMILES notation for 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline?
The canonical SMILES for 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline is CC(C)c1ncnc2c(F)c3ncn(C)c3cc12.
What is the InChIKey of 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline?
The InChIKey is MUABRUXQYADXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-7(2)11-8-4-9-13(17-6-18(9)3)10(14)12(8)16-5-15-11/h4-7H,1-3H3.
What are the key properties of 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline?
4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline has a molecular weight of 244.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline is sourced from PubChem (CID 164758216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).