3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide

C25H23N7O3 — CID 11202203

IUPAC3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C25H23N7O3/c26-23(33)22-24(30-19-6-2-1-5-18(19)29-22)28-17-7-8-21(32-10-12-35-13-11-32)20(14-17)31-25(34)16-4-3-9-27-15-16/h1-9,14-15H,10-13H2,(H2,26,33)(H,28,30)(H,31,34)
InChIKeyKRRYJUUYKCGWCV-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.96
Rot. Bonds6

About 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide

3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide (PubChem CID 11202203) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide
PubChem CID11202203
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C25H23N7O3/c26-23(33)22-24(30-19-6-2-1-5-18(19)29-22)28-17-7-8-21(32-10-12-35-13-11-32)20(14-17)31-25(34)16-4-3-9-27-15-16/h1-9,14-15H,10-13H2,(H2,26,33)(H,28,30)(H,31,34)
InChIKeyKRRYJUUYKCGWCV-UHFFFAOYSA-N
XLogP2.96
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(2-morpholin-4-ylanilino)quinoxaline-2-carboxamide
CID 11175504
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-(5-methoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 6473397
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
CID 17173598
N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide
CID 91675315
3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
CID 11772395
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 91675846
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483
5-(cyclopropylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109223906
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478

Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide?
The IUPAC name of 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide (CID 11202203) is 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide?
The canonical SMILES for 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide is NC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide?
The InChIKey is KRRYJUUYKCGWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c26-23(33)22-24(30-19-6-2-1-5-18(19)29-22)28-17-7-8-21(32-10-12-35-13-11-32)20(14-17)31-25(34)16-4-3-9-27-15-16/h1-9,14-15H,10-13H2,(H2,26,33)(H,28,30)(H,31,34).
What are the key properties of 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide?
3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide is sourced from PubChem (CID 11202203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).