2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one

C18H19N3O — CID 19367591

IUPAC2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one
SMILESCCc1ccc(-c2cn3c(=O)[nH]c4c(c3n2)CCCC4)cc1
InChIInChI=1S/C18H19N3O/c1-2-12-7-9-13(10-8-12)16-11-21-17(19-16)14-5-3-4-6-15(14)20-18(21)22/h7-11H,2-6H2,1H3,(H,20,22)
InChIKeyBSUVMLGLBVVMIB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.13
Rot. Bonds2

About 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one

2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 19367591) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one
PubChem CID19367591
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one
SMILESCCc1ccc(-c2cn3c(=O)[nH]c4c(c3n2)CCCC4)cc1
InChIInChI=1S/C18H19N3O/c1-2-12-7-9-13(10-8-12)16-11-21-17(19-16)14-5-3-4-6-15(14)20-18(21)22/h7-11H,2-6H2,1H3,(H,20,22)
InChIKeyBSUVMLGLBVVMIB-UHFFFAOYSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one (CID 19367591) is 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one is CCc1ccc(-c2cn3c(=O)[nH]c4c(c3n2)CCCC4)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is BSUVMLGLBVVMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-12-7-9-13(10-8-12)16-11-21-17(19-16)14-5-3-4-6-15(14)20-18(21)22/h7-11H,2-6H2,1H3,(H,20,22).
What are the key properties of 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one?
2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 19367591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).