2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one

C24H25N3O2S — CID 3704963

IUPAC2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(CSc2ccccn2)c1
InChIInChI=1S/C24H25N3O2S/c1-3-14-27-23(26-20-9-5-4-8-19(20)24(27)28)17-11-12-21(29-2)18(15-17)16-30-22-10-6-7-13-25-22/h4-13,15,23,26H,3,14,16H2,1-2H3
InChIKeyLCBLMBWJTCEKMF-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.36
Rot. Bonds7

About 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one

2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 3704963) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID3704963
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(CSc2ccccn2)c1
InChIInChI=1S/C24H25N3O2S/c1-3-14-27-23(26-20-9-5-4-8-19(20)24(27)28)17-11-12-21(29-2)18(15-17)16-30-22-10-6-7-13-25-22/h4-13,15,23,26H,3,14,16H2,1-2H3
InChIKeyLCBLMBWJTCEKMF-UHFFFAOYSA-N
XLogP5.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one (CID 3704963) is 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(CSc2ccccn2)c1.
What is the InChIKey of 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is LCBLMBWJTCEKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-3-14-27-23(26-20-9-5-4-8-19(20)24(27)28)17-11-12-21(29-2)18(15-17)16-30-22-10-6-7-13-25-22/h4-13,15,23,26H,3,14,16H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 419.55 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3704963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).