7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one

C24H32N4O3 — CID 167299882

IUPAC7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
SMILESCNCCN1C(=O)COc2cc(Nc3ccc(N4CC(C)OC(C)C4)c(C)c3)ccc21
InChIInChI=1S/C24H32N4O3/c1-16-11-19(5-7-21(16)27-13-17(2)31-18(3)14-27)26-20-6-8-22-23(12-20)30-15-24(29)28(22)10-9-25-4/h5-8,11-12,17-18,25-26H,9-10,13-15H2,1-4H3
InChIKeyYITBKXDIZDMXQQ-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.30
Rot. Bonds6

About 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one

7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one (PubChem CID 167299882) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
PubChem CID167299882
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
SMILESCNCCN1C(=O)COc2cc(Nc3ccc(N4CC(C)OC(C)C4)c(C)c3)ccc21
InChIInChI=1S/C24H32N4O3/c1-16-11-19(5-7-21(16)27-13-17(2)31-18(3)14-27)26-20-6-8-22-23(12-20)30-15-24(29)28(22)10-9-25-4/h5-8,11-12,17-18,25-26H,9-10,13-15H2,1-4H3
InChIKeyYITBKXDIZDMXQQ-UHFFFAOYSA-N
XLogP3.30
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-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

7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 167300197
7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 167300301
6-chloro-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 61388107
(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine
CID 129268317
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 3282711
4-[[4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxobutanoic acid
CID 39194559
4-(3-aminopropyl)-7-methyl-1,4-benzoxazin-3-one
CID 82142367
7-iodo-4-(4-methylpentyl)-1,4-benzoxazin-3-one
CID 83163219
1-(3,4-dimethylphenyl)-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine;hydroiodide
CID 111818985
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119502516

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one (CID 167299882) is 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one is CNCCN1C(=O)COc2cc(Nc3ccc(N4CC(C)OC(C)C4)c(C)c3)ccc21.
What is the InChIKey of 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one?
The InChIKey is YITBKXDIZDMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16-11-19(5-7-21(16)27-13-17(2)31-18(3)14-27)26-20-6-8-22-23(12-20)30-15-24(29)28(22)10-9-25-4/h5-8,11-12,17-18,25-26H,9-10,13-15H2,1-4H3.
What are the key properties of 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one?
7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one has a molecular weight of 424.55 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 167299882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).