N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide

C19H18FN3O — CID 112844513

IUPACN-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc(F)cc3nccnc23)cc1
InChIInChI=1S/C19H18FN3O/c1-2-3-4-13-5-7-15(8-6-13)23-19(24)16-11-14(20)12-17-18(16)22-10-9-21-17/h5-12H,2-4H2,1H3,(H,23,24)
InChIKeyXMZZRISRARKSCX-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.36
Rot. Bonds5

About N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide

N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide (PubChem CID 112844513) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide
PubChem CID112844513
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc(F)cc3nccnc23)cc1
InChIInChI=1S/C19H18FN3O/c1-2-3-4-13-5-7-15(8-6-13)23-19(24)16-11-14(20)12-17-18(16)22-10-9-21-17/h5-12H,2-4H2,1H3,(H,23,24)
InChIKeyXMZZRISRARKSCX-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
7-fluoro-N-(2-phenylmethoxy-4-pyridinyl)quinoxaline-5-carboxamide
CID 166179906
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide
CID 112845425
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206
N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide?
The IUPAC name of N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide (CID 112844513) is N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide is CCCCc1ccc(NC(=O)c2cc(F)cc3nccnc23)cc1.
What is the InChIKey of N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide?
The InChIKey is XMZZRISRARKSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-2-3-4-13-5-7-15(8-6-13)23-19(24)16-11-14(20)12-17-18(16)22-10-9-21-17/h5-12H,2-4H2,1H3,(H,23,24).
What are the key properties of N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide?
N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide is sourced from PubChem (CID 112844513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).