2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

C22H16F2N6O3S — CID 60558511

IUPAC2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2nnnn2-c2ccc(OC(F)F)cc2)n1Cc1ccco1
InChIInChI=1S/C22H16F2N6O3S/c23-21(24)33-15-9-7-14(8-10-15)30-19(26-27-28-30)13-34-22-25-18-6-2-1-5-17(18)20(31)29(22)12-16-4-3-11-32-16/h1-11,21H,12-13H2
InChIKeyPYAGFJCSROULEZ-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.91
Rot. Bonds8

About 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one (PubChem CID 60558511) has the molecular formula C22H16F2N6O3S and a molecular weight of 482.47 g/mol. Its IUPAC name is 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
PubChem CID60558511
Molecular FormulaC22H16F2N6O3S
Molecular Weight482.47 g/mol
Exact Mass482.10
IUPAC Name2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2nnnn2-c2ccc(OC(F)F)cc2)n1Cc1ccco1
InChIInChI=1S/C22H16F2N6O3S/c23-21(24)33-15-9-7-14(8-10-15)30-19(26-27-28-30)13-34-22-25-18-6-2-1-5-17(18)20(31)29(22)12-16-4-3-11-32-16/h1-11,21H,12-13H2
InChIKeyPYAGFJCSROULEZ-UHFFFAOYSA-N
XLogP3.91
TPSA100.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one with MolForge

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Related Compounds

4-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26962068
3-(furan-2-ylmethyl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 24577196
4-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 52727162
5-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18130068
3-benzyl-2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 55988647
5-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyltetrazole
CID 78812232
3-(furan-2-ylmethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 17022349
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16511040
3-methyl-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 55988523
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 42585600
1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole
CID 60558770
3-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one
CID 2478016

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one (CID 60558511) is 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2nnnn2-c2ccc(OC(F)F)cc2)n1Cc1ccco1.
What is the InChIKey of 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The InChIKey is PYAGFJCSROULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O3S/c23-21(24)33-15-9-7-14(8-10-15)30-19(26-27-28-30)13-34-22-25-18-6-2-1-5-17(18)20(31)29(22)12-16-4-3-11-32-16/h1-11,21H,12-13H2.
What are the key properties of 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one has a molecular weight of 482.47 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 60558511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).