N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide

C24H23F3N4O2 — CID 30214766

IUPACN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)cc2nc1CC
InChIInChI=1S/C24H23F3N4O2/c1-3-17-18(4-2)30-21-11-14(7-9-20(21)29-17)23(33)31-19-10-8-15(12-16(19)24(25,26)27)28-22(32)13-5-6-13/h7-13H,3-6H2,1-2H3,(H,28,32)(H,31,33)
InChIKeyFECYYDWAJRSCHB-UHFFFAOYSA-N
MW456.47 g/mol
LogP5.37
Rot. Bonds6

About N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide

N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 30214766) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
PubChem CID30214766
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)cc2nc1CC
InChIInChI=1S/C24H23F3N4O2/c1-3-17-18(4-2)30-21-11-14(7-9-20(21)29-17)23(33)31-19-10-8-15(12-16(19)24(25,26)27)28-22(32)13-5-6-13/h7-13H,3-6H2,1-2H3,(H,28,32)(H,31,33)
InChIKeyFECYYDWAJRSCHB-UHFFFAOYSA-N
XLogP5.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 17462810
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 32898423
4-tert-butyl-N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 30214792
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N,2,3-triethylquinoxaline-6-carboxamide
CID 22588073
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847653
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide
CID 134043379
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide (CID 30214766) is N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)cc2nc1CC.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The InChIKey is FECYYDWAJRSCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-3-17-18(4-2)30-21-11-14(7-9-20(21)29-17)23(33)31-19-10-8-15(12-16(19)24(25,26)27)28-22(32)13-5-6-13/h7-13H,3-6H2,1-2H3,(H,28,32)(H,31,33).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 30214766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).