2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C23H23N3O2 — CID 101101014

IUPAC2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)CC1C(=O)Nc2cc(C(N)=O)ccc2N1c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O2/c1-14(2)11-21-23(28)25-19-13-17(22(24)27)8-10-20(19)26(21)18-9-7-15-5-3-4-6-16(15)12-18/h3-10,12-14,21H,11H2,1-2H3,(H2,24,27)(H,25,28)
InChIKeyPBDMBIMQRQRPTP-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.44
Rot. Bonds4

About 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 101101014) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID101101014
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)CC1C(=O)Nc2cc(C(N)=O)ccc2N1c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O2/c1-14(2)11-21-23(28)25-19-13-17(22(24)27)8-10-20(19)26(21)18-9-7-15-5-3-4-6-16(15)12-18/h3-10,12-14,21H,11H2,1-2H3,(H2,24,27)(H,25,28)
InChIKeyPBDMBIMQRQRPTP-UHFFFAOYSA-N
XLogP4.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 101101014) is 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CC(C)CC1C(=O)Nc2cc(C(N)=O)ccc2N1c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is PBDMBIMQRQRPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14(2)11-21-23(28)25-19-13-17(22(24)27)8-10-20(19)26(21)18-9-7-15-5-3-4-6-16(15)12-18/h3-10,12-14,21H,11H2,1-2H3,(H2,24,27)(H,25,28).
What are the key properties of 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 101101014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).