3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one

C15H16ClN3O — CID 21438860

IUPAC3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one
SMILESCCCCC1C(C)=Nc2c3cccc(Cl)c3nc(=O)n21
InChIInChI=1S/C15H16ClN3O/c1-3-4-8-12-9(2)17-14-10-6-5-7-11(16)13(10)18-15(20)19(12)14/h5-7,12H,3-4,8H2,1-2H3
InChIKeySTYHPBHPBAKUKM-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.89
Rot. Bonds3

About 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one

3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 21438860) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one
PubChem CID21438860
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one
SMILESCCCCC1C(C)=Nc2c3cccc(Cl)c3nc(=O)n21
InChIInChI=1S/C15H16ClN3O/c1-3-4-8-12-9(2)17-14-10-6-5-7-11(16)13(10)18-15(20)19(12)14/h5-7,12H,3-4,8H2,1-2H3
InChIKeySTYHPBHPBAKUKM-UHFFFAOYSA-N
XLogP3.89
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 21438861
CID 21438861
CID 16361519
CID 16361519

Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one (CID 21438860) is 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one is CCCCC1C(C)=Nc2c3cccc(Cl)c3nc(=O)n21.
What is the InChIKey of 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is STYHPBHPBAKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-4-8-12-9(2)17-14-10-6-5-7-11(16)13(10)18-15(20)19(12)14/h5-7,12H,3-4,8H2,1-2H3.
What are the key properties of 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one?
3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 289.77 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-chloro-2-methyl-3H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 21438860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).