4-hydroxy-1-phenyl-3-propylquinolin-2-one

C18H17NO2 — CID 54708974

IUPAC4-hydroxy-1-phenyl-3-propylquinolin-2-one
SMILESCCCc1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H17NO2/c1-2-8-15-17(20)14-11-6-7-12-16(14)19(18(15)21)13-9-4-3-5-10-13/h3-7,9-12,20H,2,8H2,1H3
InChIKeyMNICAKKRMSFVFM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.65
Rot. Bonds3

About 4-hydroxy-1-phenyl-3-propylquinolin-2-one

4-hydroxy-1-phenyl-3-propylquinolin-2-one (PubChem CID 54708974) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-propylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-propylquinolin-2-one
PubChem CID54708974
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name4-hydroxy-1-phenyl-3-propylquinolin-2-one
SMILESCCCc1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H17NO2/c1-2-8-15-17(20)14-11-6-7-12-16(14)19(18(15)21)13-9-4-3-5-10-13/h3-7,9-12,20H,2,8H2,1H3
InChIKeyMNICAKKRMSFVFM-UHFFFAOYSA-N
XLogP3.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-propylquinolin-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-propylquinolin-2-one (CID 54708974) is 4-hydroxy-1-phenyl-3-propylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-propylquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-propylquinolin-2-one is CCCc1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-1-phenyl-3-propylquinolin-2-one?
The InChIKey is MNICAKKRMSFVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-8-15-17(20)14-11-6-7-12-16(14)19(18(15)21)13-9-4-3-5-10-13/h3-7,9-12,20H,2,8H2,1H3.
What are the key properties of 4-hydroxy-1-phenyl-3-propylquinolin-2-one?
4-hydroxy-1-phenyl-3-propylquinolin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-propylquinolin-2-one is sourced from PubChem (CID 54708974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).