N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide

C19H18N4O — CID 110701458

IUPACN-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccc2nccnc12
InChIInChI=1S/C19H18N4O/c24-19(16-4-3-5-17-18(16)21-11-10-20-17)22-14-6-8-15(9-7-14)23-12-1-2-13-23/h3-11H,1-2,12-13H2,(H,22,24)
InChIKeyVDCDIVHUAVMTQF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.48
Rot. Bonds3

About N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide

N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide (PubChem CID 110701458) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
PubChem CID110701458
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccc2nccnc12
InChIInChI=1S/C19H18N4O/c24-19(16-4-3-5-17-18(16)21-11-10-20-17)22-14-6-8-15(9-7-14)23-12-1-2-13-23/h3-11H,1-2,12-13H2,(H,22,24)
InChIKeyVDCDIVHUAVMTQF-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
2-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290
N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
CID 110701467
3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
N-(4-piperidin-1-ylphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110862212
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
CID 44515355
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 110451835

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide (CID 110701458) is N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cccc2nccnc12.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide?
The InChIKey is VDCDIVHUAVMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(16-4-3-5-17-18(16)21-11-10-20-17)22-14-6-8-15(9-7-14)23-12-1-2-13-23/h3-11H,1-2,12-13H2,(H,22,24).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide?
N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 110701458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).