1-amino-3-ethyl-4-(methylamino)quinolin-2-one

C12H15N3O — CID 66900234

IUPAC1-amino-3-ethyl-4-(methylamino)quinolin-2-one
SMILESCCc1c(NC)c2ccccc2n(N)c1=O
InChIInChI=1S/C12H15N3O/c1-3-8-11(14-2)9-6-4-5-7-10(9)15(13)12(8)16/h4-7,14H,3,13H2,1-2H3
InChIKeyOTXAUBMMYLNPGV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.32
Rot. Bonds2

About 1-amino-3-ethyl-4-(methylamino)quinolin-2-one

1-amino-3-ethyl-4-(methylamino)quinolin-2-one (PubChem CID 66900234) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-amino-3-ethyl-4-(methylamino)quinolin-2-one.

Molecular Properties

Compound Name1-amino-3-ethyl-4-(methylamino)quinolin-2-one
PubChem CID66900234
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-amino-3-ethyl-4-(methylamino)quinolin-2-one
SMILESCCc1c(NC)c2ccccc2n(N)c1=O
InChIInChI=1S/C12H15N3O/c1-3-8-11(14-2)9-6-4-5-7-10(9)15(13)12(8)16/h4-7,14H,3,13H2,1-2H3
InChIKeyOTXAUBMMYLNPGV-UHFFFAOYSA-N
XLogP1.32
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-4-(methylamino)quinolin-2-one?
The IUPAC name of 1-amino-3-ethyl-4-(methylamino)quinolin-2-one (CID 66900234) is 1-amino-3-ethyl-4-(methylamino)quinolin-2-one.
What is the SMILES notation for 1-amino-3-ethyl-4-(methylamino)quinolin-2-one?
The canonical SMILES for 1-amino-3-ethyl-4-(methylamino)quinolin-2-one is CCc1c(NC)c2ccccc2n(N)c1=O.
What is the InChIKey of 1-amino-3-ethyl-4-(methylamino)quinolin-2-one?
The InChIKey is OTXAUBMMYLNPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-8-11(14-2)9-6-4-5-7-10(9)15(13)12(8)16/h4-7,14H,3,13H2,1-2H3.
What are the key properties of 1-amino-3-ethyl-4-(methylamino)quinolin-2-one?
1-amino-3-ethyl-4-(methylamino)quinolin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-4-(methylamino)quinolin-2-one is sourced from PubChem (CID 66900234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).