3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one

C16H10ClF3N2O2 — CID 19421447

IUPAC3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one
SMILESO=c1c(Cl)nc2ccc(C(F)(F)F)cc2n1OCc1ccccc1
InChIInChI=1S/C16H10ClF3N2O2/c17-14-15(23)22(24-9-10-4-2-1-3-5-10)13-8-11(16(18,19)20)6-7-12(13)21-14/h1-8H,9H2
InChIKeySFTNXTQUTBNAHM-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.70
Rot. Bonds3

About 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one

3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one (PubChem CID 19421447) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one
PubChem CID19421447
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC Name3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one
SMILESO=c1c(Cl)nc2ccc(C(F)(F)F)cc2n1OCc1ccccc1
InChIInChI=1S/C16H10ClF3N2O2/c17-14-15(23)22(24-9-10-4-2-1-3-5-10)13-8-11(16(18,19)20)6-7-12(13)21-14/h1-8H,9H2
InChIKeySFTNXTQUTBNAHM-UHFFFAOYSA-N
XLogP3.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one?
The IUPAC name of 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one (CID 19421447) is 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one?
The canonical SMILES for 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one is O=c1c(Cl)nc2ccc(C(F)(F)F)cc2n1OCc1ccccc1.
What is the InChIKey of 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one?
The InChIKey is SFTNXTQUTBNAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c17-14-15(23)22(24-9-10-4-2-1-3-5-10)13-8-11(16(18,19)20)6-7-12(13)21-14/h1-8H,9H2.
What are the key properties of 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one?
3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one has a molecular weight of 354.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 19421447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).