1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea

C25H15ClN6O — CID 126339621

IUPAC1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
SMILESO=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1ccccc1Cl
InChIInChI=1S/C25H15ClN6O/c26-17-7-1-2-8-18(17)32-25(33)29-14-9-10-19-20(13-14)31-24-16-6-4-12-28-22(16)21-15(23(24)30-19)5-3-11-27-21/h1-13H,(H2,29,32,33)
InChIKeyKCUACCSVYOTEMO-UHFFFAOYSA-N
MW450.89 g/mol
LogP6.18
Rot. Bonds2

About 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea

1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea (PubChem CID 126339621) has the molecular formula C25H15ClN6O and a molecular weight of 450.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
PubChem CID126339621
Molecular FormulaC25H15ClN6O
Molecular Weight450.89 g/mol
Exact Mass450.10
IUPAC Name1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
SMILESO=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1ccccc1Cl
InChIInChI=1S/C25H15ClN6O/c26-17-7-1-2-8-18(17)32-25(33)29-14-9-10-19-20(13-14)31-24-16-6-4-12-28-22(16)21-15(23(24)30-19)5-3-11-27-21/h1-13H,(H2,29,32,33)
InChIKeyKCUACCSVYOTEMO-UHFFFAOYSA-N
XLogP6.18
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.89
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 5030725
9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
CID 102007965
1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 3399820
1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
CID 126341158
2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide
CID 102007967
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
1-(4-amino-2-chlorophenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885532
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382418
1-[4-(2-chloroanilino)quinazolin-7-yl]-3-phenylurea
CID 141452331
1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea
CID 27165302

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea?
The IUPAC name of 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea (CID 126339621) is 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea?
The canonical SMILES for 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea is O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea?
The InChIKey is KCUACCSVYOTEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN6O/c26-17-7-1-2-8-18(17)32-25(33)29-14-9-10-19-20(13-14)31-24-16-6-4-12-28-22(16)21-15(23(24)30-19)5-3-11-27-21/h1-13H,(H2,29,32,33).
What are the key properties of 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea?
1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea has a molecular weight of 450.89 g/mol, XLogP of 6.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea is sourced from PubChem (CID 126339621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).