1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone

C24H24N2OS — CID 15991214

IUPAC1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone
SMILESCCc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1
InChIInChI=1S/C24H24N2OS/c1-2-17-12-14-18(15-13-17)22(27)16-28-24-20-10-6-7-11-21(20)25-23(26-24)19-8-4-3-5-9-19/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3
InChIKeyRJGNRAHOKKXDMC-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.56
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone

1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone (PubChem CID 15991214) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone
PubChem CID15991214
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone
SMILESCCc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1
InChIInChI=1S/C24H24N2OS/c1-2-17-12-14-18(15-13-17)22(27)16-28-24-20-10-6-7-11-21(20)25-23(26-24)19-8-4-3-5-9-19/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3
InChIKeyRJGNRAHOKKXDMC-UHFFFAOYSA-N
XLogP5.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone (CID 15991214) is 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone is CCc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone?
The InChIKey is RJGNRAHOKKXDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-2-17-12-14-18(15-13-17)22(27)16-28-24-20-10-6-7-11-21(20)25-23(26-24)19-8-4-3-5-9-19/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone?
1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone has a molecular weight of 388.54 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone is sourced from PubChem (CID 15991214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).