(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C17H18N2O2 — CID 71987114

IUPAC(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1ccc(C(=O)N2c3ccccc3OCC2C)c(C)n1
InChIInChI=1S/C17H18N2O2/c1-11-8-9-14(13(3)18-11)17(20)19-12(2)10-21-16-7-5-4-6-15(16)19/h4-9,12H,10H2,1-3H3
InChIKeyYLDJHEIKJHWBKV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.13
Rot. Bonds1

About (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 71987114) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID71987114
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1ccc(C(=O)N2c3ccccc3OCC2C)c(C)n1
InChIInChI=1S/C17H18N2O2/c1-11-8-9-14(13(3)18-11)17(20)19-12(2)10-21-16-7-5-4-6-15(16)19/h4-9,12H,10H2,1-3H3
InChIKeyYLDJHEIKJHWBKV-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 71987114) is (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is Cc1ccc(C(=O)N2c3ccccc3OCC2C)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is YLDJHEIKJHWBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-8-9-14(13(3)18-11)17(20)19-12(2)10-21-16-7-5-4-6-15(16)19/h4-9,12H,10H2,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 71987114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).