N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide

C24H17F2N3O — CID 22588027

IUPACN-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H17F2N3O/c25-17-6-1-14(2-7-17)22-23(15-3-8-18(26)9-4-15)29-21-13-16(5-12-20(21)28-22)24(30)27-19-10-11-19/h1-9,12-13,19H,10-11H2,(H,27,30)
InChIKeyTWJMQJILCCKZDK-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.13
Rot. Bonds4

About N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide

N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide (PubChem CID 22588027) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
PubChem CID22588027
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC NameN-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H17F2N3O/c25-17-6-1-14(2-7-17)22-23(15-3-8-18(26)9-4-15)29-21-13-16(5-12-20(21)28-22)24(30)27-19-10-11-19/h1-9,12-13,19H,10-11H2,(H,27,30)
InChIKeyTWJMQJILCCKZDK-UHFFFAOYSA-N
XLogP5.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
CID 46368946
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740081
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-fluoro-N-(1-oxothian-4-yl)benzamide
CID 115886679
N-cyclopentyl-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 3236343
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 22588028
[2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23971722
[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]carbamic acid
CID 118453878
2-(4-fluorophenyl)-3-[2-(trifluoromethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylic acid
CID 70654355

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide (CID 22588027) is N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide is O=C(NC1CC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide?
The InChIKey is TWJMQJILCCKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c25-17-6-1-14(2-7-17)22-23(15-3-8-18(26)9-4-15)29-21-13-16(5-12-20(21)28-22)24(30)27-19-10-11-19/h1-9,12-13,19H,10-11H2,(H,27,30).
What are the key properties of N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide?
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 22588027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).