5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one

C19H11ClN2O3 — CID 45270092

IUPAC5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccnc2Oc2ccccc2)nc2cccc(Cl)c12
InChIInChI=1S/C19H11ClN2O3/c20-14-9-4-10-15-16(14)19(23)25-18(22-15)13-8-5-11-21-17(13)24-12-6-2-1-3-7-12/h1-11H
InChIKeyTXDFUBTXFCOIJR-UHFFFAOYSA-N
MW350.76 g/mol
LogP4.70
Rot. Bonds3

About 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one

5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one (PubChem CID 45270092) has the molecular formula C19H11ClN2O3 and a molecular weight of 350.76 g/mol. Its IUPAC name is 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
PubChem CID45270092
Molecular FormulaC19H11ClN2O3
Molecular Weight350.76 g/mol
Exact Mass350.05
IUPAC Name5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccnc2Oc2ccccc2)nc2cccc(Cl)c12
InChIInChI=1S/C19H11ClN2O3/c20-14-9-4-10-15-16(14)19(23)25-18(22-15)13-8-5-11-21-17(13)24-12-6-2-1-3-7-12/h1-11H
InChIKeyTXDFUBTXFCOIJR-UHFFFAOYSA-N
XLogP4.70
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The IUPAC name of 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one (CID 45270092) is 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one is O=c1oc(-c2cccnc2Oc2ccccc2)nc2cccc(Cl)c12.
What is the InChIKey of 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The InChIKey is TXDFUBTXFCOIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O3/c20-14-9-4-10-15-16(14)19(23)25-18(22-15)13-8-5-11-21-17(13)24-12-6-2-1-3-7-12/h1-11H.
What are the key properties of 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one has a molecular weight of 350.76 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 45270092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).