10-(4-quinazolin-2-ylphenyl)phenothiazine

C26H17N3S — CID 130396246

IUPAC10-(4-quinazolin-2-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C26H17N3S/c1-2-8-21-19(7-1)17-27-26(28-21)18-13-15-20(16-14-18)29-22-9-3-5-11-24(22)30-25-12-6-4-10-23(25)29/h1-17H
InChIKeyRAEPHDISCZXROE-UHFFFAOYSA-N
MW403.51 g/mol
LogP7.23
Rot. Bonds2

About 10-(4-quinazolin-2-ylphenyl)phenothiazine

10-(4-quinazolin-2-ylphenyl)phenothiazine (PubChem CID 130396246) has the molecular formula C26H17N3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 10-(4-quinazolin-2-ylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(4-quinazolin-2-ylphenyl)phenothiazine
PubChem CID130396246
Molecular FormulaC26H17N3S
Molecular Weight403.51 g/mol
Exact Mass403.11
IUPAC Name10-(4-quinazolin-2-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C26H17N3S/c1-2-8-21-19(7-1)17-27-26(28-21)18-13-15-20(16-14-18)29-22-9-3-5-11-24(22)30-25-12-6-4-10-23(25)29/h1-17H
InChIKeyRAEPHDISCZXROE-UHFFFAOYSA-N
XLogP7.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
CID 130396306
10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine
CID 130396182
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
2-phenylquinazoline
CID 158733567
10-[4-[4-[3-(4-phenothiazin-10-ylphenyl)-4-pyridinyl]-3-pyridinyl]phenyl]phenothiazine
CID 122433873
12,18-bis(4-phenylphenyl)-15-quinazolin-2-yl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 169072745
10-[4-(1,5-naphthyridin-2-yl)phenyl]phenothiazine;10-(4-pyrido[2,3-b]pyrazin-3-ylphenyl)phenothiazine
CID 158230002
10-(2,4-diphenylquinazolin-7-yl)phenothiazine
CID 130396277
ethane;(6R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 143915014
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 158949538
12,18-diphenyl-15-quinazolin-2-yl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 169072963

Frequently Asked Questions

What is the IUPAC name of 10-(4-quinazolin-2-ylphenyl)phenothiazine?
The IUPAC name of 10-(4-quinazolin-2-ylphenyl)phenothiazine (CID 130396246) is 10-(4-quinazolin-2-ylphenyl)phenothiazine.
What is the SMILES notation for 10-(4-quinazolin-2-ylphenyl)phenothiazine?
The canonical SMILES for 10-(4-quinazolin-2-ylphenyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ncc3ccccc3n2)cc1.
What is the InChIKey of 10-(4-quinazolin-2-ylphenyl)phenothiazine?
The InChIKey is RAEPHDISCZXROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3S/c1-2-8-21-19(7-1)17-27-26(28-21)18-13-15-20(16-14-18)29-22-9-3-5-11-24(22)30-25-12-6-4-10-23(25)29/h1-17H.
What are the key properties of 10-(4-quinazolin-2-ylphenyl)phenothiazine?
10-(4-quinazolin-2-ylphenyl)phenothiazine has a molecular weight of 403.51 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-quinazolin-2-ylphenyl)phenothiazine is sourced from PubChem (CID 130396246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).