N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C24H27FN4O2 — CID 46976143

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCCN1CCCC1CN(Cc1ccccc1F)C(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C24H27FN4O2/c1-3-28-14-8-10-18(28)16-29(15-17-9-4-5-11-19(17)25)24(31)22-23(30)27(2)21-13-7-6-12-20(21)26-22/h4-7,9,11-13,18H,3,8,10,14-16H2,1-2H3
InChIKeyFQHIMFYBOWTLNQ-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.20
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46976143) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46976143
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCCN1CCCC1CN(Cc1ccccc1F)C(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C24H27FN4O2/c1-3-28-14-8-10-18(28)16-29(15-17-9-4-5-11-19(17)25)24(31)22-23(30)27(2)21-13-7-6-12-20(21)26-22/h4-7,9,11-13,18H,3,8,10,14-16H2,1-2H3
InChIKeyFQHIMFYBOWTLNQ-UHFFFAOYSA-N
XLogP3.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride
CID 171667548
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-6-fluorophenol
CID 112616372
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide
CID 42794175
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 44535596
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 79311848
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43195903
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 102222312
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 126800848
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1432131
3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
CID 46364975
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110918997

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 46976143) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is CCN1CCCC1CN(Cc1ccccc1F)C(=O)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is FQHIMFYBOWTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-3-28-14-8-10-18(28)16-29(15-17-9-4-5-11-19(17)25)24(31)22-23(30)27(2)21-13-7-6-12-20(21)26-22/h4-7,9,11-13,18H,3,8,10,14-16H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46976143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).