N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C21H23ClN4O3 — CID 23824577

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)(CN)CNC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O3/c1-21(2,11-23)12-24-19(28)14-5-8-17-16(9-14)25-18(27)10-26(17)20(29)13-3-6-15(22)7-4-13/h3-9H,10-12,23H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyHQFQVYFXVQBRFM-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.65
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23824577) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID23824577
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)(CN)CNC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O3/c1-21(2,11-23)12-24-19(28)14-5-8-17-16(9-14)25-18(27)10-26(17)20(29)13-3-6-15(22)7-4-13/h3-9H,10-12,23H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyHQFQVYFXVQBRFM-UHFFFAOYSA-N
XLogP2.65
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 23824577) is N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CC(C)(CN)CNC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is HQFQVYFXVQBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-21(2,11-23)12-24-19(28)14-5-8-17-16(9-14)25-18(27)10-26(17)20(29)13-3-6-15(22)7-4-13/h3-9H,10-12,23H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23824577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).