(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone

C21H24N2O3 — CID 138039161

IUPAC(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone
SMILESCc1cc(C(=O)N2c3ccccc3OCC2C)ccc1N1CCOCC1
InChIInChI=1S/C21H24N2O3/c1-15-13-17(7-8-18(15)22-9-11-25-12-10-22)21(24)23-16(2)14-26-20-6-4-3-5-19(20)23/h3-8,13,16H,9-12,14H2,1-2H3
InChIKeyVCMBITXBIPTTAW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.26
Rot. Bonds2

About (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone

(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone (PubChem CID 138039161) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone
PubChem CID138039161
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone
SMILESCc1cc(C(=O)N2c3ccccc3OCC2C)ccc1N1CCOCC1
InChIInChI=1S/C21H24N2O3/c1-15-13-17(7-8-18(15)22-9-11-25-12-10-22)21(24)23-16(2)14-26-20-6-4-3-5-19(20)23/h3-8,13,16H,9-12,14H2,1-2H3
InChIKeyVCMBITXBIPTTAW-UHFFFAOYSA-N
XLogP3.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
3-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 152767426
(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71924779
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 126773291
(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71987114
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71987124
N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide
CID 91644275
N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide
CID 97029245
1-[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-methylphenyl)ethanone
CID 95898964
2-cyclopropyl-1-[(1S,4S)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 167887586

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone?
The IUPAC name of (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone (CID 138039161) is (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone is Cc1cc(C(=O)N2c3ccccc3OCC2C)ccc1N1CCOCC1.
What is the InChIKey of (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone?
The InChIKey is VCMBITXBIPTTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-13-17(7-8-18(15)22-9-11-25-12-10-22)21(24)23-16(2)14-26-20-6-4-3-5-19(20)23/h3-8,13,16H,9-12,14H2,1-2H3.
What are the key properties of (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone?
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone has a molecular weight of 352.43 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 138039161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).