N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide

C22H22N4O3 — CID 51317994

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1N1CCCC1=O
InChIInChI=1S/C22H22N4O3/c1-13-14(2)24-18-11-15(6-8-17(18)23-13)22(28)25-16-7-9-19(20(12-16)29-3)26-10-4-5-21(26)27/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,28)
InChIKeyTVIBBXHZXQGGSO-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.63
Rot. Bonds4

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 51317994) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID51317994
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1N1CCCC1=O
InChIInChI=1S/C22H22N4O3/c1-13-14(2)24-18-11-15(6-8-17(18)23-13)22(28)25-16-7-9-19(20(12-16)29-3)26-10-4-5-21(26)27/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,28)
InChIKeyTVIBBXHZXQGGSO-UHFFFAOYSA-N
XLogP3.63
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 16603100
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7686735
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55645760
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806057
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 51317994) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide is COc1cc(NC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is TVIBBXHZXQGGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-14(2)24-18-11-15(6-8-17(18)23-13)22(28)25-16-7-9-19(20(12-16)29-3)26-10-4-5-21(26)27/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,28).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 51317994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).