3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C20H16N2O2 — CID 134138916

IUPAC3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2ccccc2N1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2/c1-13-19(23)21-17-8-4-5-9-18(17)22(13)20(24)16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,21,23)
InChIKeyPYTPCXRKCDTJSO-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.83
Rot. Bonds1

About 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 134138916) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID134138916
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2ccccc2N1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2/c1-13-19(23)21-17-8-4-5-9-18(17)22(13)20(24)16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,21,23)
InChIKeyPYTPCXRKCDTJSO-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 134138916) is 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is CC1C(=O)Nc2ccccc2N1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is PYTPCXRKCDTJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-19(23)21-17-8-4-5-9-18(17)22(13)20(24)16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,21,23).
What are the key properties of 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 134138916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).