6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one

C19H21N3O3 — CID 143748256

IUPAC6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one
SMILESCN1C(=O)CCc2cc(N)ccc21.Cc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H12N2O.C9H9NO2/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13;1-6-2-3-8-7(4-6)10-9(11)5-12-8/h3-4,6H,2,5,11H2,1H3;2-4H,5H2,1H3,(H,10,11)
InChIKeyWEXKECIGIMPNDW-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.50
Rot. Bonds

About 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one

6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 143748256) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one
PubChem CID143748256
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one
SMILESCN1C(=O)CCc2cc(N)ccc21.Cc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H12N2O.C9H9NO2/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13;1-6-2-3-8-7(4-6)10-9(11)5-12-8/h3-4,6H,2,5,11H2,1H3;2-4H,5H2,1H3,(H,10,11)
InChIKeyWEXKECIGIMPNDW-UHFFFAOYSA-N
XLogP2.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one
CID 115126225
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
6-[amino-(2,5-dimethylphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43342929
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
CID 28693613
4-methyl-2-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethenyl]benzaldehyde
CID 76611328
6-[bromo-(3-methylphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61098369
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
CID 82284659

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one (CID 143748256) is 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one is CN1C(=O)CCc2cc(N)ccc21.Cc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is WEXKECIGIMPNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C9H9NO2/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13;1-6-2-3-8-7(4-6)10-9(11)5-12-8/h3-4,6H,2,5,11H2,1H3;2-4H,5H2,1H3,(H,10,11).
What are the key properties of 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one?
6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 339.40 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 143748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).