5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one

C22H28N2O4 — CID 12751753

IUPAC5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)NCC(O)COc1ccc(OCc2ccccc2)c2c1CCC(=O)N2
InChIInChI=1S/C22H28N2O4/c1-15(2)23-12-17(25)14-28-19-9-10-20(22-18(19)8-11-21(26)24-22)27-13-16-6-4-3-5-7-16/h3-7,9-10,15,17,23,25H,8,11-14H2,1-2H3,(H,24,26)
InChIKeyGIIZCYLOZYDYDG-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.89
Rot. Bonds9

About 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one

5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12751753) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID12751753
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)NCC(O)COc1ccc(OCc2ccccc2)c2c1CCC(=O)N2
InChIInChI=1S/C22H28N2O4/c1-15(2)23-12-17(25)14-28-19-9-10-20(22-18(19)8-11-21(26)24-22)27-13-16-6-4-3-5-7-16/h3-7,9-10,15,17,23,25H,8,11-14H2,1-2H3,(H,24,26)
InChIKeyGIIZCYLOZYDYDG-UHFFFAOYSA-N
XLogP2.89
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one (CID 12751753) is 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one is CC(C)NCC(O)COc1ccc(OCc2ccccc2)c2c1CCC(=O)N2.
What is the InChIKey of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GIIZCYLOZYDYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)23-12-17(25)14-28-19-9-10-20(22-18(19)8-11-21(26)24-22)27-13-16-6-4-3-5-7-16/h3-7,9-10,15,17,23,25H,8,11-14H2,1-2H3,(H,24,26).
What are the key properties of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 384.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12751753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).