1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

C24H26N2O3 — CID 19030903

IUPAC1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESC=CCc1cc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)ccc1O
InChIInChI=1S/C24H26N2O3/c1-2-5-18-16-19(8-10-22(18)27)24(29)25-14-12-20(13-15-25)26-21-7-4-3-6-17(21)9-11-23(26)28/h2-4,6-8,10,16,20,27H,1,5,9,11-15H2
InChIKeyUVEFHRKSUNTMDX-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 19030903) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID19030903
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESC=CCc1cc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)ccc1O
InChIInChI=1S/C24H26N2O3/c1-2-5-18-16-19(8-10-22(18)27)24(29)25-14-12-20(13-15-25)26-21-7-4-3-6-17(21)9-11-23(26)28/h2-4,6-8,10,16,20,27H,1,5,9,11-15H2
InChIKeyUVEFHRKSUNTMDX-UHFFFAOYSA-N
XLogP3.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 19030903) is 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is C=CCc1cc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)ccc1O.
What is the InChIKey of 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is UVEFHRKSUNTMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-5-18-16-19(8-10-22(18)27)24(29)25-14-12-20(13-15-25)26-21-7-4-3-6-17(21)9-11-23(26)28/h2-4,6-8,10,16,20,27H,1,5,9,11-15H2.
What are the key properties of 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxy-3-prop-2-enylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 19030903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).