1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one

C26H22N2OS — CID 141141986

IUPAC1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(Cc3cncs3)cc2N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22N2OS/c29-26-13-12-23-11-8-20(14-24-16-27-18-30-24)15-25(23)28(26)17-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,15-16,18H,12-14,17H2
InChIKeyZHSZAZXJCRQAOG-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.88
Rot. Bonds5

About 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one

1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 141141986) has the molecular formula C26H22N2OS and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID141141986
Molecular FormulaC26H22N2OS
Molecular Weight410.54 g/mol
Exact Mass410.15
IUPAC Name1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(Cc3cncs3)cc2N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22N2OS/c29-26-13-12-23-11-8-20(14-24-16-27-18-30-24)15-25(23)28(26)17-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,15-16,18H,12-14,17H2
InChIKeyZHSZAZXJCRQAOG-UHFFFAOYSA-N
XLogP5.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one (CID 141141986) is 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one is O=C1CCc2ccc(Cc3cncs3)cc2N1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is ZHSZAZXJCRQAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2OS/c29-26-13-12-23-11-8-20(14-24-16-27-18-30-24)15-25(23)28(26)17-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,15-16,18H,12-14,17H2.
What are the key properties of 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one?
1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 410.54 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 141141986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).