(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone

C15H14N2O2 — CID 110639185

IUPAC(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
SMILESCc1ccc2c(c1)N(C(=O)c1cccnc1)CCO2
InChIInChI=1S/C15H14N2O2/c1-11-4-5-14-13(9-11)17(7-8-19-14)15(18)12-3-2-6-16-10-12/h2-6,9-10H,7-8H2,1H3
InChIKeyIVHXFYFZPDENKU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.43
Rot. Bonds1

About (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone

(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone (PubChem CID 110639185) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
PubChem CID110639185
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
SMILESCc1ccc2c(c1)N(C(=O)c1cccnc1)CCO2
InChIInChI=1S/C15H14N2O2/c1-11-4-5-14-13(9-11)17(7-8-19-14)15(18)12-3-2-6-16-10-12/h2-6,9-10H,7-8H2,1H3
InChIKeyIVHXFYFZPDENKU-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
CID 82299169
(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110639161
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639196
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
CID 110639147
(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 159195894
2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880523
[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 3-methylbenzoate
CID 46860548
3-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 118225604
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808457
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methylphenyl)methanone
CID 84609317

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone (CID 110639185) is (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone is Cc1ccc2c(c1)N(C(=O)c1cccnc1)CCO2.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone?
The InChIKey is IVHXFYFZPDENKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-4-5-14-13(9-11)17(7-8-19-14)15(18)12-3-2-6-16-10-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone?
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone has a molecular weight of 254.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 110639185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).