4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide

C28H22N8O — CID 126341158

IUPAC4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C28H22N8O/c37-28(36-15-13-35(14-16-36)23-7-1-2-10-29-23)32-18-8-9-21-22(17-18)34-27-20-6-4-12-31-25(20)24-19(26(27)33-21)5-3-11-30-24/h1-12,17H,13-16H2,(H,32,37)
InChIKeyNIDAMJRMCJAOAW-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.63
Rot. Bonds2

About 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide

4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide (PubChem CID 126341158) has the molecular formula C28H22N8O and a molecular weight of 486.54 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
PubChem CID126341158
Molecular FormulaC28H22N8O
Molecular Weight486.54 g/mol
Exact Mass486.19
IUPAC Name4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C28H22N8O/c37-28(36-15-13-35(14-16-36)23-7-1-2-10-29-23)32-18-8-9-21-22(17-18)34-27-20-6-4-12-31-25(20)24-19(26(27)33-21)5-3-11-30-24/h1-12,17H,13-16H2,(H,32,37)
InChIKeyNIDAMJRMCJAOAW-UHFFFAOYSA-N
XLogP4.63
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 893544
N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 894053
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108872350
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 71704653
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide?
The IUPAC name of 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide (CID 126341158) is 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide is O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide?
The InChIKey is NIDAMJRMCJAOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N8O/c37-28(36-15-13-35(14-16-36)23-7-1-2-10-29-23)32-18-8-9-21-22(17-18)34-27-20-6-4-12-31-25(20)24-19(26(27)33-21)5-3-11-30-24/h1-12,17H,13-16H2,(H,32,37).
What are the key properties of 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide?
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126341158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).