6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one

C14H21N3O — CID 115131631

IUPAC6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(NC(C)(C)CN)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,9-15)16-11-5-6-12-10(8-11)4-7-13(18)17(12)3/h5-6,8,16H,4,7,9,15H2,1-3H3
InChIKeyXEHQYSKHSILREK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.74
Rot. Bonds3

About 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one

6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 115131631) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID115131631
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(NC(C)(C)CN)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,9-15)16-11-5-6-12-10(8-11)4-7-13(18)17(12)3/h5-6,8,16H,4,7,9,15H2,1-3H3
InChIKeyXEHQYSKHSILREK-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one (CID 115131631) is 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(NC(C)(C)CN)ccc21.
What is the InChIKey of 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is XEHQYSKHSILREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,9-15)16-11-5-6-12-10(8-11)4-7-13(18)17(12)3/h5-6,8,16H,4,7,9,15H2,1-3H3.
What are the key properties of 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115131631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).