6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one

C17H17NO3 — CID 78938613

IUPAC6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](O)c1ccc(Oc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C17H17NO3/c1-11(19)12-2-5-14(6-3-12)21-15-7-8-16-13(10-15)4-9-17(20)18-16/h2-3,5-8,10-11,19H,4,9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyOFKLVEBIPJDCPF-LLVKDONJSA-N
MW283.33 g/mol
LogP3.42
Rot. Bonds3

About 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one

6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 78938613) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID78938613
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](O)c1ccc(Oc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C17H17NO3/c1-11(19)12-2-5-14(6-3-12)21-15-7-8-16-13(10-15)4-9-17(20)18-16/h2-3,5-8,10-11,19H,4,9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyOFKLVEBIPJDCPF-LLVKDONJSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[bromo-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098117
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 81273879
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-2-carboxylic acid
CID 43325986
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one (CID 78938613) is 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one is C[C@@H](O)c1ccc(Oc2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OFKLVEBIPJDCPF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(19)12-2-5-14(6-3-12)21-15-7-8-16-13(10-15)4-9-17(20)18-16/h2-3,5-8,10-11,19H,4,9H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 78938613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).