2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C21H14N4O2S — CID 51297700

IUPAC2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2nc(-c3ccco3)nc3ccccc23)nc2ccccn12
InChIInChI=1S/C21H14N4O2S/c26-19-12-14(22-18-9-3-4-10-25(18)19)13-28-21-15-6-1-2-7-16(15)23-20(24-21)17-8-5-11-27-17/h1-12H,13H2
InChIKeyGRJDLZNFBFHKTE-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.19
Rot. Bonds4

About 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51297700) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51297700
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC Name2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2nc(-c3ccco3)nc3ccccc23)nc2ccccn12
InChIInChI=1S/C21H14N4O2S/c26-19-12-14(22-18-9-3-4-10-25(18)19)13-28-21-15-6-1-2-7-16(15)23-20(24-21)17-8-5-11-27-17/h1-12H,13H2
InChIKeyGRJDLZNFBFHKTE-UHFFFAOYSA-N
XLogP4.19
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-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

Related Compounds

3-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130602
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 4172773
7-bromo-2-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 16507504
7-methyl-2-[(2-methylquinazolin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 7133950
2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 106678774
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one
CID 4047417
3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 25480118
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-4-one
CID 20879246
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
7-bromo-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 4811986
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216832

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 51297700) is 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CSc2nc(-c3ccco3)nc3ccccc23)nc2ccccn12.
What is the InChIKey of 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GRJDLZNFBFHKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c26-19-12-14(22-18-9-3-4-10-25(18)19)13-28-21-15-6-1-2-7-16(15)23-20(24-21)17-8-5-11-27-17/h1-12H,13H2.
What are the key properties of 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 386.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51297700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).