1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one

C27H24N2O2S — CID 141141984

IUPAC1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(Cc3cncs3)ccc(OCc3ccccc3)c2N1Cc1ccccc1
InChIInChI=1S/C27H24N2O2S/c30-26-14-12-24-22(15-23-16-28-19-32-23)11-13-25(31-18-21-9-5-2-6-10-21)27(24)29(26)17-20-7-3-1-4-8-20/h1-11,13,16,19H,12,14-15,17-18H2
InChIKeyYRKMHMMVFHTGNV-UHFFFAOYSA-N
MW440.57 g/mol
LogP5.79
Rot. Bonds7

About 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one

1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 141141984) has the molecular formula C27H24N2O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID141141984
Molecular FormulaC27H24N2O2S
Molecular Weight440.57 g/mol
Exact Mass440.16
IUPAC Name1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(Cc3cncs3)ccc(OCc3ccccc3)c2N1Cc1ccccc1
InChIInChI=1S/C27H24N2O2S/c30-26-14-12-24-22(15-23-16-28-19-32-23)11-13-25(31-18-21-9-5-2-6-10-21)27(24)29(26)17-20-7-3-1-4-8-20/h1-11,13,16,19H,12,14-15,17-18H2
InChIKeyYRKMHMMVFHTGNV-UHFFFAOYSA-N
XLogP5.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one (CID 141141984) is 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one is O=C1CCc2c(Cc3cncs3)ccc(OCc3ccccc3)c2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is YRKMHMMVFHTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2S/c30-26-14-12-24-22(15-23-16-28-19-32-23)11-13-25(31-18-21-9-5-2-6-10-21)27(24)29(26)17-20-7-3-1-4-8-20/h1-11,13,16,19H,12,14-15,17-18H2.
What are the key properties of 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one?
1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 440.57 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-phenylmethoxy-5-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 141141984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).