methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate

C17H18N2O3 — CID 155353989

IUPACmethyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)cc1-c1cccc2c1OCCN2C
InChIInChI=1S/C17H18N2O3/c1-11-9-13(14(10-18-11)17(20)21-3)12-5-4-6-15-16(12)22-8-7-19(15)2/h4-6,9-10H,7-8H2,1-3H3
InChIKeyIADFMGLKFBVXAC-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.67
Rot. Bonds2

About methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate

methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate (PubChem CID 155353989) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate
PubChem CID155353989
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)cc1-c1cccc2c1OCCN2C
InChIInChI=1S/C17H18N2O3/c1-11-9-13(14(10-18-11)17(20)21-3)12-5-4-6-15-16(12)22-8-7-19(15)2/h4-6,9-10H,7-8H2,1-3H3
InChIKeyIADFMGLKFBVXAC-UHFFFAOYSA-N
XLogP2.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate (CID 155353989) is methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate is COC(=O)c1cnc(C)cc1-c1cccc2c1OCCN2C.
What is the InChIKey of methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate?
The InChIKey is IADFMGLKFBVXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-9-13(14(10-18-11)17(20)21-3)12-5-4-6-15-16(12)22-8-7-19(15)2/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate?
methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)pyridine-3-carboxylate is sourced from PubChem (CID 155353989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).