1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one

C19H18N2OS — CID 13189054

IUPAC1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one
SMILESCSc1ccc2c(c1)c(-c1ccccc1)nc(=O)n2CC1CC1
InChIInChI=1S/C19H18N2OS/c1-23-15-9-10-17-16(11-15)18(14-5-3-2-4-6-14)20-19(22)21(17)12-13-7-8-13/h2-6,9-11,13H,7-8,12H2,1H3
InChIKeyJISZFLNTQKRDRD-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.20
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one

1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one (PubChem CID 13189054) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one
PubChem CID13189054
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one
SMILESCSc1ccc2c(c1)c(-c1ccccc1)nc(=O)n2CC1CC1
InChIInChI=1S/C19H18N2OS/c1-23-15-9-10-17-16(11-15)18(14-5-3-2-4-6-14)20-19(22)21(17)12-13-7-8-13/h2-6,9-11,13H,7-8,12H2,1H3
InChIKeyJISZFLNTQKRDRD-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one (CID 13189054) is 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one is CSc1ccc2c(c1)c(-c1ccccc1)nc(=O)n2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one?
The InChIKey is JISZFLNTQKRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-23-15-9-10-17-16(11-15)18(14-5-3-2-4-6-14)20-19(22)21(17)12-13-7-8-13/h2-6,9-11,13H,7-8,12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one?
1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one has a molecular weight of 322.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-methylsulfanyl-4-phenylquinazolin-2-one is sourced from PubChem (CID 13189054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).