6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C18H19ClN2O4 — CID 22521456

IUPAC6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(C)Oc3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-10-21(14-8-12(19)4-6-15(14)25-11)18(22)20-13-5-7-16(23-2)17(9-13)24-3/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyMNWNITMCOYMWBS-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.18
Rot. Bonds3

About 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521456) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521456
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(C)Oc3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-10-21(14-8-12(19)4-6-15(14)25-11)18(22)20-13-5-7-16(23-2)17(9-13)24-3/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyMNWNITMCOYMWBS-UHFFFAOYSA-N
XLogP4.18
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

(2S)-6-chloro-N-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92701420
ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate
CID 22521462
methyl 3-[[(2S)-6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]amino]propanoate
CID 92682509
N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521575
(2S)-6-chloro-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92668144
6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 167958422
N-(5-chloro-2-methylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521403
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113450
4-acetyl-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 126459589
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521456) is 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1ccc(NC(=O)N2CC(C)Oc3ccc(Cl)cc32)cc1OC.
What is the InChIKey of 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is MNWNITMCOYMWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-10-21(14-8-12(19)4-6-15(14)25-11)18(22)20-13-5-7-16(23-2)17(9-13)24-3/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).