1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone

C17H14N2O2 — CID 107386877

IUPAC1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cnc3ccccc3c2)cc1N
InChIInChI=1S/C17H14N2O2/c1-11(20)15-7-6-13(9-16(15)18)21-14-8-12-4-2-3-5-17(12)19-10-14/h2-10H,18H2,1H3
InChIKeyWBSQWRSICIWTGG-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.81
Rot. Bonds3

About 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone

1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone (PubChem CID 107386877) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
PubChem CID107386877
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cnc3ccccc3c2)cc1N
InChIInChI=1S/C17H14N2O2/c1-11(20)15-7-6-13(9-16(15)18)21-14-8-12-4-2-3-5-17(12)19-10-14/h2-10H,18H2,1H3
InChIKeyWBSQWRSICIWTGG-UHFFFAOYSA-N
XLogP3.81
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
3-amino-4-quinolin-3-yloxybenzoic acid
CID 107387663
2-amino-3-quinolin-3-yloxybenzoic acid
CID 107387664
4-quinolin-3-yloxybenzenesulfinic acid
CID 57445519
4-quinolin-3-yloxybenzenecarbothioamide
CID 107387175
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
N-methyl-1-(2-methyl-4-quinolin-3-yloxyphenyl)methanamine
CID 107387603
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387496
4-bromo-2-quinolin-3-yloxybenzoic acid
CID 107387489

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone (CID 107386877) is 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone is CC(=O)c1ccc(Oc2cnc3ccccc3c2)cc1N.
What is the InChIKey of 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone?
The InChIKey is WBSQWRSICIWTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11(20)15-7-6-13(9-16(15)18)21-14-8-12-4-2-3-5-17(12)19-10-14/h2-10H,18H2,1H3.
What are the key properties of 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone?
1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone has a molecular weight of 278.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 107386877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).