2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one

C18H21N3O2 — CID 71848773

IUPAC2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CC(C(C)C)Nc3ccccc32)c[nH]1
InChIInChI=1S/C18H21N3O2/c1-11(2)15-10-21(16-7-5-4-6-14(16)20-15)18(23)13-9-19-12(3)8-17(13)22/h4-9,11,15,20H,10H2,1-3H3,(H,19,22)
InChIKeySKLSTNTZOBDRBB-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.78
Rot. Bonds2

About 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one

2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one (PubChem CID 71848773) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one
PubChem CID71848773
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CC(C(C)C)Nc3ccccc32)c[nH]1
InChIInChI=1S/C18H21N3O2/c1-11(2)15-10-21(16-7-5-4-6-14(16)20-15)18(23)13-9-19-12(3)8-17(13)22/h4-9,11,15,20H,10H2,1-3H3,(H,19,22)
InChIKeySKLSTNTZOBDRBB-UHFFFAOYSA-N
XLogP2.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one (CID 71848773) is 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CC(C(C)C)Nc3ccccc32)c[nH]1.
What is the InChIKey of 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one?
The InChIKey is SKLSTNTZOBDRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)15-10-21(16-7-5-4-6-14(16)20-15)18(23)13-9-19-12(3)8-17(13)22/h4-9,11,15,20H,10H2,1-3H3,(H,19,22).
What are the key properties of 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one?
2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one has a molecular weight of 311.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 71848773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).