2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline

C23H18N6S — CID 71584097

IUPAC2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
SMILESCc1nc(SCc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2)c2ccccc2n1
InChIInChI=1S/C23H18N6S/c1-15-24-21-8-3-2-7-20(21)23(25-15)30-14-16-9-11-17(12-10-16)18-5-4-6-19(13-18)22-26-28-29-27-22/h2-13H,14H2,1H3,(H,26,27,28,29)
InChIKeyRISOBJZBNXIXMV-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.08
Rot. Bonds5

About 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline

2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline (PubChem CID 71584097) has the molecular formula C23H18N6S and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
PubChem CID71584097
Molecular FormulaC23H18N6S
Molecular Weight410.51 g/mol
Exact Mass410.13
IUPAC Name2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
SMILESCc1nc(SCc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2)c2ccccc2n1
InChIInChI=1S/C23H18N6S/c1-15-24-21-8-3-2-7-20(21)23(25-15)30-14-16-9-11-17(12-10-16)18-5-4-6-19(13-18)22-26-28-29-27-22/h2-13H,14H2,1H3,(H,26,27,28,29)
InChIKeyRISOBJZBNXIXMV-UHFFFAOYSA-N
XLogP5.08
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline with MolForge

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Related Compounds

(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
3,7-Dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
CID 4176954
2-Methyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethylsulfanyl]-quinoline
CID 10252966
2-propan-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 10455813
2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinazoline
CID 10674384
(2-Ethyl-quinazolin-4-yl)-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amine
CID 15294417
2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 44312546
2-propan-2-yl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 71584100
Quinazoline, 2-phenyl-4-phenylthio-
CID 609712
4-((1-Methyl-1H-tetrazol-5-yl)thio)-2-phenylquinazoline
CID 2566978
2-Benzyl-4-methylsulfanylquinazoline
CID 1449030
6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 9981320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline?
The IUPAC name of 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline (CID 71584097) is 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline.
What is the SMILES notation for 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline?
The canonical SMILES for 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline is Cc1nc(SCc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline?
The InChIKey is RISOBJZBNXIXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6S/c1-15-24-21-8-3-2-7-20(21)23(25-15)30-14-16-9-11-17(12-10-16)18-5-4-6-19(13-18)22-26-28-29-27-22/h2-13H,14H2,1H3,(H,26,27,28,29).
What are the key properties of 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline?
2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline has a molecular weight of 410.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline is sourced from PubChem (CID 71584097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).