(4-propylphenyl)-quinoxalin-2-ylmethanone

C18H16N2O — CID 107356711

IUPAC(4-propylphenyl)-quinoxalin-2-ylmethanone
SMILESCCCc1ccc(C(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O/c1-2-5-13-8-10-14(11-9-13)18(21)17-12-19-15-6-3-4-7-16(15)20-17/h3-4,6-12H,2,5H2,1H3
InChIKeyCKJSWVZLUJWKKB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.81
Rot. Bonds4

About (4-propylphenyl)-quinoxalin-2-ylmethanone

(4-propylphenyl)-quinoxalin-2-ylmethanone (PubChem CID 107356711) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (4-propylphenyl)-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name(4-propylphenyl)-quinoxalin-2-ylmethanone
PubChem CID107356711
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(4-propylphenyl)-quinoxalin-2-ylmethanone
SMILESCCCc1ccc(C(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O/c1-2-5-13-8-10-14(11-9-13)18(21)17-12-19-15-6-3-4-7-16(15)20-17/h3-4,6-12H,2,5H2,1H3
InChIKeyCKJSWVZLUJWKKB-UHFFFAOYSA-N
XLogP3.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-quinoxalin-2-ylmethanone?
The IUPAC name of (4-propylphenyl)-quinoxalin-2-ylmethanone (CID 107356711) is (4-propylphenyl)-quinoxalin-2-ylmethanone.
What is the SMILES notation for (4-propylphenyl)-quinoxalin-2-ylmethanone?
The canonical SMILES for (4-propylphenyl)-quinoxalin-2-ylmethanone is CCCc1ccc(C(=O)c2cnc3ccccc3n2)cc1.
What is the InChIKey of (4-propylphenyl)-quinoxalin-2-ylmethanone?
The InChIKey is CKJSWVZLUJWKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-5-13-8-10-14(11-9-13)18(21)17-12-19-15-6-3-4-7-16(15)20-17/h3-4,6-12H,2,5H2,1H3.
What are the key properties of (4-propylphenyl)-quinoxalin-2-ylmethanone?
(4-propylphenyl)-quinoxalin-2-ylmethanone has a molecular weight of 276.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-quinoxalin-2-ylmethanone is sourced from PubChem (CID 107356711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).