8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one

C15H15N3O3S — CID 5094312

IUPAC8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one
SMILESC=CCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)CN12
InChIInChI=1S/C15H15N3O3S/c1-4-5-22-15-16-10-7-12(21-3)11(20-2)6-9(10)14-17-13(19)8-18(14)15/h4,6-7H,1,5,8H2,2-3H3
InChIKeyNNAOGXSGFDADPT-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.21
Rot. Bonds4

About 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one

8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one (PubChem CID 5094312) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one.

Molecular Properties

Compound Name8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one
PubChem CID5094312
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one
SMILESC=CCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)CN12
InChIInChI=1S/C15H15N3O3S/c1-4-5-22-15-16-10-7-12(21-3)11(20-2)6-9(10)14-17-13(19)8-18(14)15/h4,6-7H,1,5,8H2,2-3H3
InChIKeyNNAOGXSGFDADPT-UHFFFAOYSA-N
XLogP2.21
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one?
The IUPAC name of 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one (CID 5094312) is 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one.
What is the SMILES notation for 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one?
The canonical SMILES for 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one is C=CCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)CN12.
What is the InChIKey of 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one?
The InChIKey is NNAOGXSGFDADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-4-5-22-15-16-10-7-12(21-3)11(20-2)6-9(10)14-17-13(19)8-18(14)15/h4,6-7H,1,5,8H2,2-3H3.
What are the key properties of 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one?
8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one has a molecular weight of 317.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-5-prop-2-enylsulfanyl-3H-imidazo[1,2-c]quinazolin-2-one is sourced from PubChem (CID 5094312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).