3-amino-2-phenylmethoxy-1H-quinolin-4-one

C16H14N2O2 — CID 67393102

IUPAC3-amino-2-phenylmethoxy-1H-quinolin-4-one
SMILESNc1c(OCc2ccccc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H14N2O2/c17-14-15(19)12-8-4-5-9-13(12)18-16(14)20-10-11-6-2-1-3-7-11/h1-9H,10,17H2,(H,18,19)
InChIKeyVUEONXQJZIYNPA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.69
Rot. Bonds3

About 3-amino-2-phenylmethoxy-1H-quinolin-4-one

3-amino-2-phenylmethoxy-1H-quinolin-4-one (PubChem CID 67393102) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-2-phenylmethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-phenylmethoxy-1H-quinolin-4-one
PubChem CID67393102
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-amino-2-phenylmethoxy-1H-quinolin-4-one
SMILESNc1c(OCc2ccccc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H14N2O2/c17-14-15(19)12-8-4-5-9-13(12)18-16(14)20-10-11-6-2-1-3-7-11/h1-9H,10,17H2,(H,18,19)
InChIKeyVUEONXQJZIYNPA-UHFFFAOYSA-N
XLogP2.69
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxy-1H-indol-2-amine
CID 152577928
(2S)-2-amino-3-(2-phenylmethoxy-1H-indol-3-yl)propanal
CID 91054597
10H-acridin-9-one
CID 22753806
2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide
CID 142648693
benzyl 2-prop-2-enoxy-1H-indole-3-carboxylate
CID 68573887
4-phenylmethoxy-3-thiophen-2-yl-1H-quinolin-2-one
CID 50916853
4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile
CID 70924919
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
3-phenylmethoxy-1H-azet-2-one
CID 174589199
3-methyl-2-(4-phenylmethoxybutyl)-1H-quinolin-4-one
CID 59527358
10H-acridin-9-one;ethane
CID 91525380
2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenylmethoxy-1H-quinolin-4-one?
The IUPAC name of 3-amino-2-phenylmethoxy-1H-quinolin-4-one (CID 67393102) is 3-amino-2-phenylmethoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-amino-2-phenylmethoxy-1H-quinolin-4-one?
The canonical SMILES for 3-amino-2-phenylmethoxy-1H-quinolin-4-one is Nc1c(OCc2ccccc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-amino-2-phenylmethoxy-1H-quinolin-4-one?
The InChIKey is VUEONXQJZIYNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-14-15(19)12-8-4-5-9-13(12)18-16(14)20-10-11-6-2-1-3-7-11/h1-9H,10,17H2,(H,18,19).
What are the key properties of 3-amino-2-phenylmethoxy-1H-quinolin-4-one?
3-amino-2-phenylmethoxy-1H-quinolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenylmethoxy-1H-quinolin-4-one is sourced from PubChem (CID 67393102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).