6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one

C15H21N3O2 — CID 142478226

IUPAC6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one
SMILESCOCC(C)(C)Nc1cc(=O)n(C)c2ccc(N)cc12
InChIInChI=1S/C15H21N3O2/c1-15(2,9-20-4)17-12-8-14(19)18(3)13-6-5-10(16)7-11(12)13/h5-8,17H,9,16H2,1-4H3
InChIKeyWKBVOMIXHZNUFW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds4

About 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one

6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one (PubChem CID 142478226) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one
PubChem CID142478226
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one
SMILESCOCC(C)(C)Nc1cc(=O)n(C)c2ccc(N)cc12
InChIInChI=1S/C15H21N3O2/c1-15(2,9-20-4)17-12-8-14(19)18(3)13-6-5-10(16)7-11(12)13/h5-8,17H,9,16H2,1-4H3
InChIKeyWKBVOMIXHZNUFW-UHFFFAOYSA-N
XLogP1.96
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one with MolForge

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Related Compounds

6-amino-4-(2-hydroxyethylamino)-1-methylquinolin-2-one
CID 142478323
6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
CID 142478419
6-amino-4-[[(2R)-2-ethylcyclopropyl]amino]-1-methylquinolin-2-one
CID 142478285
(2R)-2-[(6-amino-1-methyl-2-oxoquinolin-4-yl)amino]-N-cyclopentylpropanamide
CID 156571031
6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one
CID 142478286
methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride
CID 171367133
9-(methoxymethyl)carbazole-3,6-diamine
CID 174533461
4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
CID 135385757
6-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115609411
3-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-N-methylbenzamide
CID 113470227
4-ethoxy-2-N-(1-methoxy-2-methylpropan-2-yl)benzene-1,2-diamine
CID 22922541
1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one
CID 81244474

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one?
The IUPAC name of 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one (CID 142478226) is 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one.
What is the SMILES notation for 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one?
The canonical SMILES for 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one is COCC(C)(C)Nc1cc(=O)n(C)c2ccc(N)cc12.
What is the InChIKey of 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one?
The InChIKey is WKBVOMIXHZNUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,9-20-4)17-12-8-14(19)18(3)13-6-5-10(16)7-11(12)13/h5-8,17H,9,16H2,1-4H3.
What are the key properties of 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one?
6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-1-methylquinolin-2-one is sourced from PubChem (CID 142478226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).