1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione

C15H12N2O3 — CID 10038659

IUPAC1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione
SMILESCCn1c(=O)oc(=O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C15H12N2O3/c1-2-17-13-9-11(10-5-7-16-8-6-10)3-4-12(13)14(18)20-15(17)19/h3-9H,2H2,1H3
InChIKeyLQBVSUNXIJNVAJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.04
Rot. Bonds2

About 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione

1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione (PubChem CID 10038659) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione
PubChem CID10038659
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione
SMILESCCn1c(=O)oc(=O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C15H12N2O3/c1-2-17-13-9-11(10-5-7-16-8-6-10)3-4-12(13)14(18)20-15(17)19/h3-9H,2H2,1H3
InChIKeyLQBVSUNXIJNVAJ-UHFFFAOYSA-N
XLogP2.04
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-({[2-(Methoxycarbonyl)phenyl]amino}carbonyl)-1-methylpyridinium
CID 837410
2-Pyridin-3-yl-benzo(d)(1,3)oxazin-4-one
CID 722912
5-methyl-2-(pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 45267507
5-methyl-2-(2-methylpyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 45270925
5-methyl-2-(6-methylpyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 45271771
5-Oxo-5,6-dihydrobenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57664047
Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate
CID 743331
Methyl 4-(4-pyridinyl)benzoate
CID 5152686
Methyl 2-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 6469219
Methyl 2-amino-5-pyridin-3-yl-4-(trifluoromethyl)benzoate
CID 166626847
1-acetyl-2-(pyridin-3-yl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
CID 3244510
Methyl 7-(3-{[(3-isopropylphenyl)amino]carbonyl}phenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate
CID 71736176

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione (CID 10038659) is 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione is CCn1c(=O)oc(=O)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione?
The InChIKey is LQBVSUNXIJNVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-17-13-9-11(10-5-7-16-8-6-10)3-4-12(13)14(18)20-15(17)19/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione?
1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 10038659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).