1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one

C22H26N2O3 — CID 70414389

IUPAC1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC(O)C(NCC=CCc1ccccc1)ON1C(=O)CCc2ccccc21
InChIInChI=1S/C22H26N2O3/c1-17(25)22(23-16-8-7-11-18-9-3-2-4-10-18)27-24-20-13-6-5-12-19(20)14-15-21(24)26/h2-10,12-13,17,22-23,25H,11,14-16H2,1H3
InChIKeySQZFEDWDKYMWFU-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.99
Rot. Bonds8

About 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one

1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 70414389) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one
PubChem CID70414389
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC(O)C(NCC=CCc1ccccc1)ON1C(=O)CCc2ccccc21
InChIInChI=1S/C22H26N2O3/c1-17(25)22(23-16-8-7-11-18-9-3-2-4-10-18)27-24-20-13-6-5-12-19(20)14-15-21(24)26/h2-10,12-13,17,22-23,25H,11,14-16H2,1H3
InChIKeySQZFEDWDKYMWFU-UHFFFAOYSA-N
XLogP2.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one (CID 70414389) is 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one is CC(O)C(NCC=CCc1ccccc1)ON1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is SQZFEDWDKYMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(25)22(23-16-8-7-11-18-9-3-2-4-10-18)27-24-20-13-6-5-12-19(20)14-15-21(24)26/h2-10,12-13,17,22-23,25H,11,14-16H2,1H3.
What are the key properties of 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one?
1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 366.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 70414389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).