N-methyl-2H-1,4-benzoxazine-7-carboxamide

C10H10N2O2 — CID 91549866

IUPACN-methyl-2H-1,4-benzoxazine-7-carboxamide
SMILESCNC(=O)c1ccc2c(c1)OCC=N2
InChIInChI=1S/C10H10N2O2/c1-11-10(13)7-2-3-8-9(6-7)14-5-4-12-8/h2-4,6H,5H2,1H3,(H,11,13)
InChIKeySMPGUJPKESSMHW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.14
Rot. Bonds1

About N-methyl-2H-1,4-benzoxazine-7-carboxamide

N-methyl-2H-1,4-benzoxazine-7-carboxamide (PubChem CID 91549866) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-methyl-2H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-2H-1,4-benzoxazine-7-carboxamide
PubChem CID91549866
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-methyl-2H-1,4-benzoxazine-7-carboxamide
SMILESCNC(=O)c1ccc2c(c1)OCC=N2
InChIInChI=1S/C10H10N2O2/c1-11-10(13)7-2-3-8-9(6-7)14-5-4-12-8/h2-4,6H,5H2,1H3,(H,11,13)
InChIKeySMPGUJPKESSMHW-UHFFFAOYSA-N
XLogP1.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide
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N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-methyl-2H-1,4-benzoxazine-7-carboxamide (CID 91549866) is N-methyl-2H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-methyl-2H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-methyl-2H-1,4-benzoxazine-7-carboxamide is CNC(=O)c1ccc2c(c1)OCC=N2.
What is the InChIKey of N-methyl-2H-1,4-benzoxazine-7-carboxamide?
The InChIKey is SMPGUJPKESSMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-11-10(13)7-2-3-8-9(6-7)14-5-4-12-8/h2-4,6H,5H2,1H3,(H,11,13).
What are the key properties of N-methyl-2H-1,4-benzoxazine-7-carboxamide?
N-methyl-2H-1,4-benzoxazine-7-carboxamide has a molecular weight of 190.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 91549866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).