5-(3-methoxyphenoxy)-1H-quinolin-4-one

C16H13NO3 — CID 91548000

IUPAC5-(3-methoxyphenoxy)-1H-quinolin-4-one
SMILESCOc1cccc(Oc2cccc3[nH]ccc(=O)c23)c1
InChIInChI=1S/C16H13NO3/c1-19-11-4-2-5-12(10-11)20-15-7-3-6-13-16(15)14(18)8-9-17-13/h2-10H,1H3,(H,17,18)
InChIKeyAJMGXTNOPHLVHA-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.33
Rot. Bonds3

About 5-(3-methoxyphenoxy)-1H-quinolin-4-one

5-(3-methoxyphenoxy)-1H-quinolin-4-one (PubChem CID 91548000) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(3-methoxyphenoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name5-(3-methoxyphenoxy)-1H-quinolin-4-one
PubChem CID91548000
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5-(3-methoxyphenoxy)-1H-quinolin-4-one
SMILESCOc1cccc(Oc2cccc3[nH]ccc(=O)c23)c1
InChIInChI=1S/C16H13NO3/c1-19-11-4-2-5-12(10-11)20-15-7-3-6-13-16(15)14(18)8-9-17-13/h2-10H,1H3,(H,17,18)
InChIKeyAJMGXTNOPHLVHA-UHFFFAOYSA-N
XLogP3.33
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
2-(3-methoxyphenoxy)-N-methylaniline
CID 167220736
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
1-amino-5-(3-methoxyphenoxy)anthracene-9,10-dione
CID 22759182
cyclohexane;methanethiol;7-methoxy-1H-quinolin-4-one
CID 157041036
6-methoxy-1H-quinolin-4-one isocyanate
CID 19004901
1-ethynyl-2-(3-methoxyphenoxy)benzene
CID 173156561

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenoxy)-1H-quinolin-4-one?
The IUPAC name of 5-(3-methoxyphenoxy)-1H-quinolin-4-one (CID 91548000) is 5-(3-methoxyphenoxy)-1H-quinolin-4-one.
What is the SMILES notation for 5-(3-methoxyphenoxy)-1H-quinolin-4-one?
The canonical SMILES for 5-(3-methoxyphenoxy)-1H-quinolin-4-one is COc1cccc(Oc2cccc3[nH]ccc(=O)c23)c1.
What is the InChIKey of 5-(3-methoxyphenoxy)-1H-quinolin-4-one?
The InChIKey is AJMGXTNOPHLVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-11-4-2-5-12(10-11)20-15-7-3-6-13-16(15)14(18)8-9-17-13/h2-10H,1H3,(H,17,18).
What are the key properties of 5-(3-methoxyphenoxy)-1H-quinolin-4-one?
5-(3-methoxyphenoxy)-1H-quinolin-4-one has a molecular weight of 267.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenoxy)-1H-quinolin-4-one is sourced from PubChem (CID 91548000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).