2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one

C14H13N3O — CID 21438861

IUPAC2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one
SMILESC=CCC1C(C)=Nc2c3ccccc3nc(=O)n21
InChIInChI=1S/C14H13N3O/c1-3-6-12-9(2)15-13-10-7-4-5-8-11(10)16-14(18)17(12)13/h3-5,7-8,12H,1,6H2,2H3
InChIKeySWQIABDONAXOSI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds2

About 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one

2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 21438861) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one
PubChem CID21438861
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one
SMILESC=CCC1C(C)=Nc2c3ccccc3nc(=O)n21
InChIInChI=1S/C14H13N3O/c1-3-6-12-9(2)15-13-10-7-4-5-8-11(10)16-14(18)17(12)13/h3-5,7-8,12H,1,6H2,2H3
InChIKeySWQIABDONAXOSI-UHFFFAOYSA-N
XLogP2.62
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one (CID 21438861) is 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one is C=CCC1C(C)=Nc2c3ccccc3nc(=O)n21.
What is the InChIKey of 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is SWQIABDONAXOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-3-6-12-9(2)15-13-10-7-4-5-8-11(10)16-14(18)17(12)13/h3-5,7-8,12H,1,6H2,2H3.
What are the key properties of 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one?
2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 239.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enyl-3H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 21438861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).