2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal

C14H16N2O2 — CID 172560701

IUPAC2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal
SMILESCc1ccc2c(c1)nc(C(C)(C)C=O)c(=O)n2C
InChIInChI=1S/C14H16N2O2/c1-9-5-6-11-10(7-9)15-12(13(18)16(11)4)14(2,3)8-17/h5-8H,1-4H3
InChIKeyBTSXIYQUKHBPLD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.72
Rot. Bonds2

About 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal

2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal (PubChem CID 172560701) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal
PubChem CID172560701
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal
SMILESCc1ccc2c(c1)nc(C(C)(C)C=O)c(=O)n2C
InChIInChI=1S/C14H16N2O2/c1-9-5-6-11-10(7-9)15-12(13(18)16(11)4)14(2,3)8-17/h5-8H,1-4H3
InChIKeyBTSXIYQUKHBPLD-UHFFFAOYSA-N
XLogP1.72
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal?
The IUPAC name of 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal (CID 172560701) is 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal.
What is the SMILES notation for 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal?
The canonical SMILES for 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal is Cc1ccc2c(c1)nc(C(C)(C)C=O)c(=O)n2C.
What is the InChIKey of 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal?
The InChIKey is BTSXIYQUKHBPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-5-6-11-10(7-9)15-12(13(18)16(11)4)14(2,3)8-17/h5-8H,1-4H3.
What are the key properties of 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal?
2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal has a molecular weight of 244.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylpropanal is sourced from PubChem (CID 172560701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).