8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one

C20H19N3O3S — CID 3849624

IUPAC8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
SMILESCOc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccccc1C)=N2
InChIInChI=1S/C20H19N3O3S/c1-12-6-4-5-7-13(12)11-27-20-21-15-9-17(26-3)16(25-2)8-14(15)19-22-18(24)10-23(19)20/h4-9H,10-11H2,1-3H3
InChIKeyXNJPEFQNYCZHAW-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.54
Rot. Bonds4

About 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one

8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one (PubChem CID 3849624) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one.

Molecular Properties

Compound Name8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
PubChem CID3849624
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
SMILESCOc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccccc1C)=N2
InChIInChI=1S/C20H19N3O3S/c1-12-6-4-5-7-13(12)11-27-20-21-15-9-17(26-3)16(25-2)8-14(15)19-22-18(24)10-23(19)20/h4-9H,10-11H2,1-3H3
InChIKeyXNJPEFQNYCZHAW-UHFFFAOYSA-N
XLogP3.54
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one?
The IUPAC name of 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one (CID 3849624) is 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one.
What is the SMILES notation for 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one?
The canonical SMILES for 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one is COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccccc1C)=N2.
What is the InChIKey of 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one?
The InChIKey is XNJPEFQNYCZHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-6-4-5-7-13(12)11-27-20-21-15-9-17(26-3)16(25-2)8-14(15)19-22-18(24)10-23(19)20/h4-9H,10-11H2,1-3H3.
What are the key properties of 8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one?
8,9-dimethoxy-5-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one has a molecular weight of 381.46 g/mol, XLogP of 3.54, 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-[(2-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one is sourced from PubChem (CID 3849624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).