7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one

C16H10Cl2N6OS — CID 135751289

IUPAC7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSc2nnnn2-c2cccc(Cl)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H10Cl2N6OS/c17-9-2-1-3-11(6-9)24-16(21-22-23-24)26-8-14-19-13-7-10(18)4-5-12(13)15(25)20-14/h1-7H,8H2,(H,19,20,25)
InChIKeyPWGNYUDMHHVDPJ-UHFFFAOYSA-N
MW405.27 g/mol
LogP3.50
Rot. Bonds4

About 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one

7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one (PubChem CID 135751289) has the molecular formula C16H10Cl2N6OS and a molecular weight of 405.27 g/mol. Its IUPAC name is 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one
PubChem CID135751289
Molecular FormulaC16H10Cl2N6OS
Molecular Weight405.27 g/mol
Exact Mass404.00
IUPAC Name7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSc2nnnn2-c2cccc(Cl)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H10Cl2N6OS/c17-9-2-1-3-11(6-9)24-16(21-22-23-24)26-8-14-19-13-7-10(18)4-5-12(13)15(25)20-14/h1-7H,8H2,(H,19,20,25)
InChIKeyPWGNYUDMHHVDPJ-UHFFFAOYSA-N
XLogP3.50
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135751292
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
7-chloro-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135729929
7-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135722556
7-chloro-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135760711
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
7-chloro-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one;hydrochloride
CID 135891125
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
7-chloro-2-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135689233

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one (CID 135751289) is 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one is O=c1[nH]c(CSc2nnnn2-c2cccc(Cl)c2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The InChIKey is PWGNYUDMHHVDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6OS/c17-9-2-1-3-11(6-9)24-16(21-22-23-24)26-8-14-19-13-7-10(18)4-5-12(13)15(25)20-14/h1-7H,8H2,(H,19,20,25).
What are the key properties of 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one?
7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one has a molecular weight of 405.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135751289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).