2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide

C32H22N8O2 — CID 102007967

IUPAC2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(-c2cc(C(=O)Nc3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccn2)c1
InChIInChI=1S/C32H22N8O2/c1-40(2)32(42)19-10-14-34-25(16-19)24-15-18(9-13-33-24)31(41)37-20-7-8-23-26(17-20)39-30-22-6-4-12-36-28(22)27-21(29(30)38-23)5-3-11-35-27/h3-17H,1-2H3,(H,37,41)
InChIKeyBUZRZYUSTQCXDX-UHFFFAOYSA-N
MW550.58 g/mol
LogP5.29
Rot. Bonds4

About 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide

2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide (PubChem CID 102007967) has the molecular formula C32H22N8O2 and a molecular weight of 550.58 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide
PubChem CID102007967
Molecular FormulaC32H22N8O2
Molecular Weight550.58 g/mol
Exact Mass550.19
IUPAC Name2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(-c2cc(C(=O)Nc3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccn2)c1
InChIInChI=1S/C32H22N8O2/c1-40(2)32(42)19-10-14-34-25(16-19)24-15-18(9-13-33-24)31(41)37-20-7-8-23-26(17-20)39-30-22-6-4-12-36-28(22)27-21(29(30)38-23)5-3-11-35-27/h3-17H,1-2H3,(H,37,41)
InChIKeyBUZRZYUSTQCXDX-UHFFFAOYSA-N
XLogP5.29
TPSA126.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.58
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide with MolForge

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Related Compounds

9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
CID 102007965
N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide
CID 4652927
1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 5030725
1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 126339621
N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 2857830
N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3107678
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
CID 126341158
N-quinolin-6-ylbenzamide
CID 833617
1,1-dimethyl-3-phenanthro[9,10-b]quinoxalin-11-ylthiourea
CID 3540148
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide?
The IUPAC name of 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide (CID 102007967) is 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide is CN(C)C(=O)c1ccnc(-c2cc(C(=O)Nc3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccn2)c1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide?
The InChIKey is BUZRZYUSTQCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N8O2/c1-40(2)32(42)19-10-14-34-25(16-19)24-15-18(9-13-33-24)31(41)37-20-7-8-23-26(17-20)39-30-22-6-4-12-36-28(22)27-21(29(30)38-23)5-3-11-35-27/h3-17H,1-2H3,(H,37,41).
What are the key properties of 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide?
2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide has a molecular weight of 550.58 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide is sourced from PubChem (CID 102007967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).