4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one

C21H19NO2 — CID 54708975

IUPAC4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(-c2ccccc2)c(O)c2c(n1-c1ccccc1)CCCC2
InChIInChI=1S/C21H19NO2/c23-20-17-13-7-8-14-18(17)22(16-11-5-2-6-12-16)21(24)19(20)15-9-3-1-4-10-15/h1-6,9-12,23H,7-8,13-14H2
InChIKeyNQTBPAHDTQHICD-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.09
Rot. Bonds2

About 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one

4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 54708975) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID54708975
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(-c2ccccc2)c(O)c2c(n1-c1ccccc1)CCCC2
InChIInChI=1S/C21H19NO2/c23-20-17-13-7-8-14-18(17)22(16-11-5-2-6-12-16)21(24)19(20)15-9-3-1-4-10-15/h1-6,9-12,23H,7-8,13-14H2
InChIKeyNQTBPAHDTQHICD-UHFFFAOYSA-N
XLogP4.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one (CID 54708975) is 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one is O=c1c(-c2ccccc2)c(O)c2c(n1-c1ccccc1)CCCC2.
What is the InChIKey of 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is NQTBPAHDTQHICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-20-17-13-7-8-14-18(17)22(16-11-5-2-6-12-16)21(24)19(20)15-9-3-1-4-10-15/h1-6,9-12,23H,7-8,13-14H2.
What are the key properties of 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one?
4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 317.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-diphenyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 54708975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).