3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide

C23H25N5O3 — CID 91951013

IUPAC3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
SMILESCN(C)c1nc2ccccc2n(CCC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)c1=O
InChIInChI=1S/C23H25N5O3/c1-23(2)15-13-14(9-10-16(15)26-22(23)31)24-19(29)11-12-28-18-8-6-5-7-17(18)25-20(21(28)30)27(3)4/h5-10,13H,11-12H2,1-4H3,(H,24,29)(H,26,31)
InChIKeyVCRILPYXRMNCFS-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.72
Rot. Bonds5

About 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide

3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide (PubChem CID 91951013) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
PubChem CID91951013
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
SMILESCN(C)c1nc2ccccc2n(CCC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)c1=O
InChIInChI=1S/C23H25N5O3/c1-23(2)15-13-14(9-10-16(15)26-22(23)31)24-19(29)11-12-28-18-8-6-5-7-17(18)25-20(21(28)30)27(3)4/h5-10,13H,11-12H2,1-4H3,(H,24,29)(H,26,31)
InChIKeyVCRILPYXRMNCFS-UHFFFAOYSA-N
XLogP2.72
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The IUPAC name of 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide (CID 91951013) is 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide.
What is the SMILES notation for 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The canonical SMILES for 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide is CN(C)c1nc2ccccc2n(CCC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)c1=O.
What is the InChIKey of 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The InChIKey is VCRILPYXRMNCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-23(2)15-13-14(9-10-16(15)26-22(23)31)24-19(29)11-12-28-18-8-6-5-7-17(18)25-20(21(28)30)27(3)4/h5-10,13H,11-12H2,1-4H3,(H,24,29)(H,26,31).
What are the key properties of 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide has a molecular weight of 419.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide is sourced from PubChem (CID 91951013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).