6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one

C19H13ClF2N6OS — CID 25471555

IUPAC6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2nc(SCc2nnnn2C2CC2)n1-c1ccc(F)cc1F
InChIInChI=1S/C19H13ClF2N6OS/c20-10-1-5-15-13(7-10)18(29)27(16-6-2-11(21)8-14(16)22)19(23-15)30-9-17-24-25-26-28(17)12-3-4-12/h1-2,5-8,12H,3-4,9H2
InChIKeyVMVZEKUMFKZAQX-UHFFFAOYSA-N
MW446.87 g/mol
LogP3.93
Rot. Bonds5

About 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one

6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one (PubChem CID 25471555) has the molecular formula C19H13ClF2N6OS and a molecular weight of 446.87 g/mol. Its IUPAC name is 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
PubChem CID25471555
Molecular FormulaC19H13ClF2N6OS
Molecular Weight446.87 g/mol
Exact Mass446.05
IUPAC Name6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2nc(SCc2nnnn2C2CC2)n1-c1ccc(F)cc1F
InChIInChI=1S/C19H13ClF2N6OS/c20-10-1-5-15-13(7-10)18(29)27(16-6-2-11(21)8-14(16)22)19(23-15)30-9-17-24-25-26-28(17)12-3-4-12/h1-2,5-8,12H,3-4,9H2
InChIKeyVMVZEKUMFKZAQX-UHFFFAOYSA-N
XLogP3.93
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one with MolForge

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Related Compounds

3-(2,4-difluorophenyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 9491393
3-[3-[6-chloro-3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione
CID 55996611
6-chloro-3-(2,4-difluorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 41148502
3-[6-chloro-3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112796267
2-(cyclohexylmethylsulfanyl)-3-(2,4-difluorophenyl)quinazolin-4-one
CID 7845486
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 3631266
2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 27914582
2-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 2494654
N-(4-chlorophenyl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4680018
2-benzylsulfanyl-6-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)quinazolin-4-one
CID 3827246
6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one
CID 136966181
6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24518374

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one (CID 25471555) is 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one is O=c1c2cc(Cl)ccc2nc(SCc2nnnn2C2CC2)n1-c1ccc(F)cc1F.
What is the InChIKey of 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one?
The InChIKey is VMVZEKUMFKZAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N6OS/c20-10-1-5-15-13(7-10)18(29)27(16-6-2-11(21)8-14(16)22)19(23-15)30-9-17-24-25-26-28(17)12-3-4-12/h1-2,5-8,12H,3-4,9H2.
What are the key properties of 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one?
6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one has a molecular weight of 446.87 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one is sourced from PubChem (CID 25471555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).