6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one

C19H13ClN2O2 — CID 86093145

IUPAC6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3cccc(-c4ccc(Cl)cc4)n3)cc2N1
InChIInChI=1S/C19H13ClN2O2/c20-14-7-4-12(5-8-14)15-2-1-3-16(21-15)13-6-9-18-17(10-13)22-19(23)11-24-18/h1-10H,11H2,(H,22,23)
InChIKeyMZIDVHRTZHCFOL-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.40
Rot. Bonds2

About 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one

6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one (PubChem CID 86093145) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
PubChem CID86093145
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3cccc(-c4ccc(Cl)cc4)n3)cc2N1
InChIInChI=1S/C19H13ClN2O2/c20-14-7-4-12(5-8-14)15-2-1-3-16(21-15)13-6-9-18-17(10-13)22-19(23)11-24-18/h1-10H,11H2,(H,22,23)
InChIKeyMZIDVHRTZHCFOL-UHFFFAOYSA-N
XLogP4.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
6-[5-(3-chlorophenyl)-2H-triazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 10215193
6-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]amino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 22333270
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-(2-cyclopropyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 35618773
(4-chlorophenyl)-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]azanium
CID 142893426
6-[2-(methylamino)-1,3-oxazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116832523
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carbonyl chloride
CID 82371348
6-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
CID 43815973
6-(2-thiophen-2-yl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 7529130
6-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116867442
6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 10085761

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one (CID 86093145) is 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3cccc(-c4ccc(Cl)cc4)n3)cc2N1.
What is the InChIKey of 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is MZIDVHRTZHCFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-14-7-4-12(5-8-14)15-2-1-3-16(21-15)13-6-9-18-17(10-13)22-19(23)11-24-18/h1-10H,11H2,(H,22,23).
What are the key properties of 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 336.78 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 86093145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).