3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

C19H15N3O2S — CID 3498668

IUPAC3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cccnc2)n1Cc1ccco1
InChIInChI=1S/C19H15N3O2S/c23-18-16-7-1-2-8-17(16)21-19(22(18)12-15-6-4-10-24-15)25-13-14-5-3-9-20-11-14/h1-11H,12-13H2
InChIKeyHJTMZKGHGYGJLI-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.73
Rot. Bonds5

About 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 3498668) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
PubChem CID3498668
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cccnc2)n1Cc1ccco1
InChIInChI=1S/C19H15N3O2S/c23-18-16-7-1-2-8-17(16)21-19(22(18)12-15-6-4-10-24-15)25-13-14-5-3-9-20-11-14/h1-11H,12-13H2
InChIKeyHJTMZKGHGYGJLI-UHFFFAOYSA-N
XLogP3.73
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-(4-pyridin-2-yloxycyclohexyl)propanamide
CID 136249376
2-(Furan-2-yl)-3-pyridin-4-ylquinazolin-4-one
CID 823069
N-[2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 722974
2-Benzylsulfanyl-1-furan-2-ylmethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470306
2-(Furan-2-yl)-3-(4-methylpyridin-2-yl)quinazolin-4-one
CID 645426
2-Benzylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 652975
2-(Furan-2-yl)-3-pyridin-3-ylquinazolin-4-one
CID 823064
2-(Furan-2-yl)-3-pyridin-2-ylquinazolin-4-one
CID 829486
2-(Furan-2-yl)-3-(3-methylpyridin-2-yl)quinazolin-4-one
CID 829489
2-(Furan-2-yl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 829492
1-[4-[[3-(2-Ethoxypyridine-3-carbonyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 2450544
3-(Furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 2489940

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one (CID 3498668) is 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2cccnc2)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is HJTMZKGHGYGJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-18-16-7-1-2-8-17(16)21-19(22(18)12-15-6-4-10-24-15)25-13-14-5-3-9-20-11-14/h1-11H,12-13H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 349.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 3498668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).