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

C19H17N3O3S — CID 4221074

IUPAC5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one
SMILESCOc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccccc1)=N2
InChIInChI=1S/C19H17N3O3S/c1-24-15-8-13-14(9-16(15)25-2)20-19(22-10-17(23)21-18(13)22)26-11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKeyCXMQRPUIYHYRAR-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.23
Rot. Bonds4

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

5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one (PubChem CID 4221074) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one.

Molecular Properties

Compound Name5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one
PubChem CID4221074
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one
SMILESCOc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccccc1)=N2
InChIInChI=1S/C19H17N3O3S/c1-24-15-8-13-14(9-16(15)25-2)20-19(22-10-17(23)21-18(13)22)26-11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKeyCXMQRPUIYHYRAR-UHFFFAOYSA-N
XLogP3.23
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one?
The IUPAC name of 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one (CID 4221074) is 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one.
What is the SMILES notation for 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one?
The canonical SMILES for 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one is COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccccc1)=N2.
What is the InChIKey of 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one?
The InChIKey is CXMQRPUIYHYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-24-15-8-13-14(9-16(15)25-2)20-19(22-10-17(23)21-18(13)22)26-11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one?
5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one has a molecular weight of 367.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one is sourced from PubChem (CID 4221074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).