N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

C20H18N4O2 — CID 59198935

IUPACN,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCc1cccc(-c2ncc3c(=O)[nH]c4cc(C(=O)N(C)C)ccc4n23)c1
InChIInChI=1S/C20H18N4O2/c1-12-5-4-6-13(9-12)18-21-11-17-19(25)22-15-10-14(20(26)23(2)3)7-8-16(15)24(17)18/h4-11H,1-3H3,(H,22,25)
InChIKeyYPVCSNWLCQTOKG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.85
Rot. Bonds2

About N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 59198935) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
PubChem CID59198935
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCc1cccc(-c2ncc3c(=O)[nH]c4cc(C(=O)N(C)C)ccc4n23)c1
InChIInChI=1S/C20H18N4O2/c1-12-5-4-6-13(9-12)18-21-11-17-19(25)22-15-10-14(20(26)23(2)3)7-8-16(15)24(17)18/h4-11H,1-3H3,(H,22,25)
InChIKeyYPVCSNWLCQTOKG-UHFFFAOYSA-N
XLogP2.85
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (CID 59198935) is N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is Cc1cccc(-c2ncc3c(=O)[nH]c4cc(C(=O)N(C)C)ccc4n23)c1.
What is the InChIKey of N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is YPVCSNWLCQTOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-5-4-6-13(9-12)18-21-11-17-19(25)22-15-10-14(20(26)23(2)3)7-8-16(15)24(17)18/h4-11H,1-3H3,(H,22,25).
What are the key properties of N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 59198935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).