6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one

C17H17NO3 — CID 115969585

IUPAC6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCc3ccc(CO)cc3)ccc2N1
InChIInChI=1S/C17H17NO3/c19-10-12-1-3-13(4-2-12)11-21-15-6-7-16-14(9-15)5-8-17(20)18-16/h1-4,6-7,9,19H,5,8,10-11H2,(H,18,20)
InChIKeySMPTYGMCRUUBII-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.64
Rot. Bonds4

About 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one

6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115969585) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115969585
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCc3ccc(CO)cc3)ccc2N1
InChIInChI=1S/C17H17NO3/c19-10-12-1-3-13(4-2-12)11-21-15-6-7-16-14(9-15)5-8-17(20)18-16/h1-4,6-7,9,19H,5,8,10-11H2,(H,18,20)
InChIKeySMPTYGMCRUUBII-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[4-(hydroxymethyl)phenyl]methoxy]-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

Related Compounds

6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115557423
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
6-[(6-hydrazinyl-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62244306
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 106530107
6-[(2-hydrazinyl-4-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62466442
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 47043404
6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114380710

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 115969585) is 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCc3ccc(CO)cc3)ccc2N1.
What is the InChIKey of 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SMPTYGMCRUUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-10-12-1-3-13(4-2-12)11-21-15-6-7-16-14(9-15)5-8-17(20)18-16/h1-4,6-7,9,19H,5,8,10-11H2,(H,18,20).
What are the key properties of 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115969585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).