(7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone

C19H15FN2O2 — CID 69066293

IUPAC(7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone
SMILESCC1c2cccn2-c2ccc(F)cc2N1C(=O)c1cccc(O)c1
InChIInChI=1S/C19H15FN2O2/c1-12-16-6-3-9-21(16)17-8-7-14(20)11-18(17)22(12)19(24)13-4-2-5-15(23)10-13/h2-12,23H,1H3
InChIKeyOPROZKMWABHCHI-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.04
Rot. Bonds1

About (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone

(7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone (PubChem CID 69066293) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone
PubChem CID69066293
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name(7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone
SMILESCC1c2cccn2-c2ccc(F)cc2N1C(=O)c1cccc(O)c1
InChIInChI=1S/C19H15FN2O2/c1-12-16-6-3-9-21(16)17-8-7-14(20)11-18(17)22(12)19(24)13-4-2-5-15(23)10-13/h2-12,23H,1H3
InChIKeyOPROZKMWABHCHI-UHFFFAOYSA-N
XLogP4.04
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone (CID 69066293) is (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone is CC1c2cccn2-c2ccc(F)cc2N1C(=O)c1cccc(O)c1.
What is the InChIKey of (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is OPROZKMWABHCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-12-16-6-3-9-21(16)17-8-7-14(20)11-18(17)22(12)19(24)13-4-2-5-15(23)10-13/h2-12,23H,1H3.
What are the key properties of (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone?
(7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone has a molecular weight of 322.34 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 69066293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).