6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one

C12H14N2O2 — CID 116997652

IUPAC6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(C(O)CN)ccc2[nH]c1=O
InChIInChI=1S/C12H14N2O2/c1-7-4-9-5-8(11(15)6-13)2-3-10(9)14-12(7)16/h2-5,11,15H,6,13H2,1H3,(H,14,16)
InChIKeyHNIRMMFWCOQXIS-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.83
Rot. Bonds2

About 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one

6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one (PubChem CID 116997652) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one
PubChem CID116997652
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(C(O)CN)ccc2[nH]c1=O
InChIInChI=1S/C12H14N2O2/c1-7-4-9-5-8(11(15)6-13)2-3-10(9)14-12(7)16/h2-5,11,15H,6,13H2,1H3,(H,14,16)
InChIKeyHNIRMMFWCOQXIS-UHFFFAOYSA-N
XLogP0.83
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one (CID 116997652) is 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one is Cc1cc2cc(C(O)CN)ccc2[nH]c1=O.
What is the InChIKey of 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one?
The InChIKey is HNIRMMFWCOQXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-4-9-5-8(11(15)6-13)2-3-10(9)14-12(7)16/h2-5,11,15H,6,13H2,1H3,(H,14,16).
What are the key properties of 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one?
6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 116997652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).