1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one

C16H24N2O2 — CID 115475527

IUPAC1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)CNCC(O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-12(2)9-17-10-14(19)11-18-15-6-4-3-5-13(15)7-8-16(18)20/h3-6,12,14,17,19H,7-11H2,1-2H3
InChIKeyKQXIXDCCTPLLRK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.57
Rot. Bonds6

About 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one

1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 115475527) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
PubChem CID115475527
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)CNCC(O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-12(2)9-17-10-14(19)11-18-15-6-4-3-5-13(15)7-8-16(18)20/h3-6,12,14,17,19H,7-11H2,1-2H3
InChIKeyKQXIXDCCTPLLRK-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-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

Related Compounds

1-[3-(ethylamino)-2-hydroxypropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43343208
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide
CID 87711180
ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
CID 82778791
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 64583291
1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 104747147
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
CID 115475518
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115475357
1-[2-cyclopropyl-2-(ethylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63915018

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one (CID 115475527) is 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one is CC(C)CNCC(O)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is KQXIXDCCTPLLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)9-17-10-14(19)11-18-15-6-4-3-5-13(15)7-8-16(18)20/h3-6,12,14,17,19H,7-11H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one?
1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115475527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).