6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one

C15H22N2O2 — CID 43497613

IUPAC6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one
SMILESCCCNC(c1ccc2c(c1)NC(=O)CO2)C(C)C
InChIInChI=1S/C15H22N2O2/c1-4-7-16-15(10(2)3)11-5-6-13-12(8-11)17-14(18)9-19-13/h5-6,8,10,15-16H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyASLMXMLPGHVFAE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.71
Rot. Bonds5

About 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one

6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one (PubChem CID 43497613) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one
PubChem CID43497613
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one
SMILESCCCNC(c1ccc2c(c1)NC(=O)CO2)C(C)C
InChIInChI=1S/C15H22N2O2/c1-4-7-16-15(10(2)3)11-5-6-13-12(8-11)17-14(18)9-19-13/h5-6,8,10,15-16H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyASLMXMLPGHVFAE-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-methyl-1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 114874374
6-[1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 43497611
6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one
CID 43492901
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032
6-(1-bromo-2-methylpropyl)-4H-1,4-benzoxazin-3-one
CID 61097770
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-(1-chloro-3-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085016
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanenitrile
CID 43207723
6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 43492904
6-(1-chlorooctyl)-4H-1,4-benzoxazin-3-one
CID 63436729
6-[ethylamino(phenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492891

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one (CID 43497613) is 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one is CCCNC(c1ccc2c(c1)NC(=O)CO2)C(C)C.
What is the InChIKey of 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is ASLMXMLPGHVFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-7-16-15(10(2)3)11-5-6-13-12(8-11)17-14(18)9-19-13/h5-6,8,10,15-16H,4,7,9H2,1-3H3,(H,17,18).
What are the key properties of 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one?
6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43497613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).