6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one

C11H14N2O3 — CID 82494411

IUPAC6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(NCCO)cc2NC1=O
InChIInChI=1S/C11H14N2O3/c1-7-11(15)13-9-6-8(12-4-5-14)2-3-10(9)16-7/h2-3,6-7,12,14H,4-5H2,1H3,(H,13,15)
InChIKeyXVDJKWFPZCHZQV-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.81
Rot. Bonds3

About 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one

6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 82494411) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID82494411
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(NCCO)cc2NC1=O
InChIInChI=1S/C11H14N2O3/c1-7-11(15)13-9-6-8(12-4-5-14)2-3-10(9)16-7/h2-3,6-7,12,14H,4-5H2,1H3,(H,13,15)
InChIKeyXVDJKWFPZCHZQV-UHFFFAOYSA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(3-oxobutylamino)-4H-1,4-benzoxazin-3-one
CID 115235415
6-(3-chloropropylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 115215423
6-(cyclopropylmethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43685723
2-methyl-6-(2-methylbutylamino)-4H-1,4-benzoxazin-3-one
CID 43685669
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
(E)-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]but-2-enoic acid
CID 115236902
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
2-methyl-6-(2-methylpentylamino)-4H-1,4-benzoxazin-3-one
CID 43685662
6-[(2-bromophenyl)methylamino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 43232161
2-methyl-6-(1,3-thiazol-2-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 55248527
1-(3-fluoro-4-methylphenyl)-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea
CID 8563794
6-[(3-bromofuran-2-yl)methylamino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 103817840

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one (CID 82494411) is 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(NCCO)cc2NC1=O.
What is the InChIKey of 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is XVDJKWFPZCHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-11(15)13-9-6-8(12-4-5-14)2-3-10(9)16-7/h2-3,6-7,12,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 222.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82494411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).