3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one

C16H14N2O2 — CID 142731769

IUPAC3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1NCc1ccc(O)cc1
InChIInChI=1S/C16H14N2O2/c19-13-7-5-11(6-8-13)10-17-15-9-12-3-1-2-4-14(12)18-16(15)20/h1-9,17,19H,10H2,(H,18,20)
InChIKeyIMGVMWWNFMYLMK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds3

About 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one

3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one (PubChem CID 142731769) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one
PubChem CID142731769
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1NCc1ccc(O)cc1
InChIInChI=1S/C16H14N2O2/c19-13-7-5-11(6-8-13)10-17-15-9-12-3-1-2-4-14(12)18-16(15)20/h1-9,17,19H,10H2,(H,18,20)
InChIKeyIMGVMWWNFMYLMK-UHFFFAOYSA-N
XLogP2.85
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one (CID 142731769) is 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1NCc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one?
The InChIKey is IMGVMWWNFMYLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-13-7-5-11(6-8-13)10-17-15-9-12-3-1-2-4-14(12)18-16(15)20/h1-9,17,19H,10H2,(H,18,20).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one?
3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one is sourced from PubChem (CID 142731769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).