4-benzylsulfanyl-6-chloro-2-phenylquinazoline

C21H15ClN2S — CID 3166670

IUPAC4-benzylsulfanyl-6-chloro-2-phenylquinazoline
SMILESClc1ccc2nc(-c3ccccc3)nc(SCc3ccccc3)c2c1
InChIInChI=1S/C21H15ClN2S/c22-17-11-12-19-18(13-17)21(25-14-15-7-3-1-4-8-15)24-20(23-19)16-9-5-2-6-10-16/h1-13H,14H2
InChIKeyAMNSBBPMRCNIFT-UHFFFAOYSA-N
MW362.89 g/mol
LogP6.24
Rot. Bonds4

About 4-benzylsulfanyl-6-chloro-2-phenylquinazoline

4-benzylsulfanyl-6-chloro-2-phenylquinazoline (PubChem CID 3166670) has the molecular formula C21H15ClN2S and a molecular weight of 362.89 g/mol. Its IUPAC name is 4-benzylsulfanyl-6-chloro-2-phenylquinazoline.

Molecular Properties

Compound Name4-benzylsulfanyl-6-chloro-2-phenylquinazoline
PubChem CID3166670
Molecular FormulaC21H15ClN2S
Molecular Weight362.89 g/mol
Exact Mass362.06
IUPAC Name4-benzylsulfanyl-6-chloro-2-phenylquinazoline
SMILESClc1ccc2nc(-c3ccccc3)nc(SCc3ccccc3)c2c1
InChIInChI=1S/C21H15ClN2S/c22-17-11-12-19-18(13-17)21(25-14-15-7-3-1-4-8-15)24-20(23-19)16-9-5-2-6-10-16/h1-13H,14H2
InChIKeyAMNSBBPMRCNIFT-UHFFFAOYSA-N
XLogP6.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.89
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-6-chloro-2-phenylquinazoline?
The IUPAC name of 4-benzylsulfanyl-6-chloro-2-phenylquinazoline (CID 3166670) is 4-benzylsulfanyl-6-chloro-2-phenylquinazoline.
What is the SMILES notation for 4-benzylsulfanyl-6-chloro-2-phenylquinazoline?
The canonical SMILES for 4-benzylsulfanyl-6-chloro-2-phenylquinazoline is Clc1ccc2nc(-c3ccccc3)nc(SCc3ccccc3)c2c1.
What is the InChIKey of 4-benzylsulfanyl-6-chloro-2-phenylquinazoline?
The InChIKey is AMNSBBPMRCNIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2S/c22-17-11-12-19-18(13-17)21(25-14-15-7-3-1-4-8-15)24-20(23-19)16-9-5-2-6-10-16/h1-13H,14H2.
What are the key properties of 4-benzylsulfanyl-6-chloro-2-phenylquinazoline?
4-benzylsulfanyl-6-chloro-2-phenylquinazoline has a molecular weight of 362.89 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-6-chloro-2-phenylquinazoline is sourced from PubChem (CID 3166670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).