2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone

C16H11ClN2O2 — CID 2813572

IUPAC2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone
SMILESO=C(COc1ncnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-12-6-7-13-14(8-12)18-10-19-16(13)21-9-15(20)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyPHDZFQRHQKTMOQ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.54
Rot. Bonds4

About 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone

2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone (PubChem CID 2813572) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone.

Molecular Properties

Compound Name2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone
PubChem CID2813572
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone
SMILESO=C(COc1ncnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-12-6-7-13-14(8-12)18-10-19-16(13)21-9-15(20)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyPHDZFQRHQKTMOQ-UHFFFAOYSA-N
XLogP3.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone?
The IUPAC name of 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone (CID 2813572) is 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone.
What is the SMILES notation for 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone?
The canonical SMILES for 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone is O=C(COc1ncnc2cc(Cl)ccc12)c1ccccc1.
What is the InChIKey of 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone?
The InChIKey is PHDZFQRHQKTMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-6-7-13-14(8-12)18-10-19-16(13)21-9-15(20)11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone?
2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone has a molecular weight of 298.73 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinazolin-4-yl)oxy-1-phenylethanone is sourced from PubChem (CID 2813572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).