N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide

C19H24ClN3O4 — CID 14719870

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCOc1c(Cl)cc2c(c1C(=O)NC1CN3CCC1CC3)OC(C)C(=O)N2C
InChIInChI=1S/C19H24ClN3O4/c1-10-19(25)22(2)14-8-12(20)16(26-3)15(17(14)27-10)18(24)21-13-9-23-6-4-11(13)5-7-23/h8,10-11,13H,4-7,9H2,1-3H3,(H,21,24)
InChIKeyYVIODMLCBXFRIC-UHFFFAOYSA-N
MW393.87 g/mol
LogP1.92
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide (PubChem CID 14719870) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide
PubChem CID14719870
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCOc1c(Cl)cc2c(c1C(=O)NC1CN3CCC1CC3)OC(C)C(=O)N2C
InChIInChI=1S/C19H24ClN3O4/c1-10-19(25)22(2)14-8-12(20)16(26-3)15(17(14)27-10)18(24)21-13-9-23-6-4-11(13)5-7-23/h8,10-11,13H,4-7,9H2,1-3H3,(H,21,24)
InChIKeyYVIODMLCBXFRIC-UHFFFAOYSA-N
XLogP1.92
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 19871131
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-7-methoxy-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 70070492
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-8-methoxy-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
CID 70054019
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
CID 3980105
4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-chloro-2-methoxybenzamide
CID 91592044
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 70043867
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide
CID 18181690
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 19871139
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62165695
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxynaphthalene-2-carboxamide
CID 10286402

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide (CID 14719870) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide is COc1c(Cl)cc2c(c1C(=O)NC1CN3CCC1CC3)OC(C)C(=O)N2C.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The InChIKey is YVIODMLCBXFRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-10-19(25)22(2)14-8-12(20)16(26-3)15(17(14)27-10)18(24)21-13-9-23-6-4-11(13)5-7-23/h8,10-11,13H,4-7,9H2,1-3H3,(H,21,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-methoxy-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 14719870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).