N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide

C26H20N6O2 — CID 112799416

IUPACN-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cccc(CNC(=O)c2cnc3ccccc3n2)c1)c1cnc2ccccc2n1
InChIInChI=1S/C26H20N6O2/c33-25(23-15-27-19-8-1-3-10-21(19)31-23)29-13-17-6-5-7-18(12-17)14-30-26(34)24-16-28-20-9-2-4-11-22(20)32-24/h1-12,15-16H,13-14H2,(H,29,33)(H,30,34)
InChIKeyAWEFNIUYESIPTA-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.43
Rot. Bonds6

About N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide

N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide (PubChem CID 112799416) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
PubChem CID112799416
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC NameN-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cccc(CNC(=O)c2cnc3ccccc3n2)c1)c1cnc2ccccc2n1
InChIInChI=1S/C26H20N6O2/c33-25(23-15-27-19-8-1-3-10-21(19)31-23)29-13-17-6-5-7-18(12-17)14-30-26(34)24-16-28-20-9-2-4-11-22(20)32-24/h1-12,15-16H,13-14H2,(H,29,33)(H,30,34)
InChIKeyAWEFNIUYESIPTA-UHFFFAOYSA-N
XLogP3.43
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(furan-2-yl)-4-pyridinyl]methyl]quinoxaline-2-carboxamide
CID 91630434
N-[(3-benzylphenyl)methyl]-1,5-naphthyridine-2-carboxamide
CID 59192225
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
CID 134021244
N-(4-phenylbutyl)quinoxaline-2-carboxamide
CID 22136414
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 36607696
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide (CID 112799416) is N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide is O=C(NCc1cccc(CNC(=O)c2cnc3ccccc3n2)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide?
The InChIKey is AWEFNIUYESIPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c33-25(23-15-27-19-8-1-3-10-21(19)31-23)29-13-17-6-5-7-18(12-17)14-30-26(34)24-16-28-20-9-2-4-11-22(20)32-24/h1-12,15-16H,13-14H2,(H,29,33)(H,30,34).
What are the key properties of N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide?
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 112799416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).