6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one

C12H15N3O2 — CID 142478323

IUPAC6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NCCO)c2cc(N)ccc21
InChIInChI=1S/C12H15N3O2/c1-15-11-3-2-8(13)6-9(11)10(7-12(15)17)14-4-5-16/h2-3,6-7,14,16H,4-5,13H2,1H3
InChIKeyLPIHCOZLGCDABM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.52
Rot. Bonds3

About 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one

6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one (PubChem CID 142478323) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one
PubChem CID142478323
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NCCO)c2cc(N)ccc21
InChIInChI=1S/C12H15N3O2/c1-15-11-3-2-8(13)6-9(11)10(7-12(15)17)14-4-5-16/h2-3,6-7,14,16H,4-5,13H2,1H3
InChIKeyLPIHCOZLGCDABM-UHFFFAOYSA-N
XLogP0.52
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one
CID 142478226
6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
CID 142478419
4-(5-hydroxypentylamino)-1-methylquinolin-2-one
CID 107318105
6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one
CID 142478285
1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one
CID 81244482
1-methyl-4-(pent-3-ynylamino)quinolin-2-one
CID 116644399
4-(3-aminobutylamino)-1-methylquinolin-2-one
CID 81237638
2-(4-amino-2-ethylanilino)ethanol
CID 54391550
(2R)-2-[(6-amino-1-methyl-2-oxoquinolin-4-yl)amino]-N-cyclopentylpropanamide
CID 156571031
4-(butylamino)-1-methylquinolin-2-one
CID 81244865
6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one
CID 142478286
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one?
The IUPAC name of 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one (CID 142478323) is 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one.
What is the SMILES notation for 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one?
The canonical SMILES for 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one is Cn1c(=O)cc(NCCO)c2cc(N)ccc21.
What is the InChIKey of 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one?
The InChIKey is LPIHCOZLGCDABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-11-3-2-8(13)6-9(11)10(7-12(15)17)14-4-5-16/h2-3,6-7,14,16H,4-5,13H2,1H3.
What are the key properties of 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one?
6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one is sourced from PubChem (CID 142478323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).