7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one

C15H20N2O — CID 91459928

IUPAC7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one
SMILESCc1c(CC(C)(C)C)c(=O)[nH]c2cc(N)ccc12
InChIInChI=1S/C15H20N2O/c1-9-11-6-5-10(16)7-13(11)17-14(18)12(9)8-15(2,3)4/h5-7H,8,16H2,1-4H3,(H,17,18)
InChIKeyXTKSYSILEFLGFX-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.01
Rot. Bonds1

About 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one

7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one (PubChem CID 91459928) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one
PubChem CID91459928
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one
SMILESCc1c(CC(C)(C)C)c(=O)[nH]c2cc(N)ccc12
InChIInChI=1S/C15H20N2O/c1-9-11-6-5-10(16)7-13(11)17-14(18)12(9)8-15(2,3)4/h5-7H,8,16H2,1-4H3,(H,17,18)
InChIKeyXTKSYSILEFLGFX-UHFFFAOYSA-N
XLogP3.01
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-methyl-3-propyl-1H-quinolin-2-one
CID 118872268
6-amino-3-methyl-1H-indole-2-carbaldehyde
CID 96630486
2-[7-amino-2-oxo-4-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 24822995
7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
CID 135446126
6-amino-3,4-dimethyl-2H-isoquinolin-1-one
CID 175921906
7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine
CID 159619510
8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 84638095
1-ethyl-9H-carbazole-2,7-diamine
CID 69231599
(3-ethyl-4-methyl-2-oxo-1H-quinolin-7-yl) acetate
CID 46907086
6-amino-3-ethyl-1H-quinolin-2-one
CID 172552849
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one
CID 54713989

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one (CID 91459928) is 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one is Cc1c(CC(C)(C)C)c(=O)[nH]c2cc(N)ccc12.
What is the InChIKey of 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one?
The InChIKey is XTKSYSILEFLGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-11-6-5-10(16)7-13(11)17-14(18)12(9)8-15(2,3)4/h5-7H,8,16H2,1-4H3,(H,17,18).
What are the key properties of 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one?
7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 91459928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).