5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline

C18H12ClN3O — CID 127035078

IUPAC5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline
SMILESCOc1nc2cc3cccnc3c(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C18H12ClN3O/c1-23-18-16(11-6-3-2-4-7-11)22-17-13(21-18)10-12-8-5-9-20-15(12)14(17)19/h2-10H,1H3
InChIKeyPPNXCZYJADNODT-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.51
Rot. Bonds2

About 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline

5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline (PubChem CID 127035078) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline
PubChem CID127035078
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline
SMILESCOc1nc2cc3cccnc3c(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C18H12ClN3O/c1-23-18-16(11-6-3-2-4-7-11)22-17-13(21-18)10-12-8-5-9-20-15(12)14(17)19/h2-10H,1H3
InChIKeyPPNXCZYJADNODT-UHFFFAOYSA-N
XLogP4.51
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one
CID 127035059
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile
CID 127034914
2-chloro-5,7-dimethoxy-3-phenylquinoxaline
CID 10542283
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
2-methoxy-3,5-diphenylpyrazine
CID 13123633
2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635
5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405145
2,3,4,5-tetraphenyl-1,10-phenanthroline
CID 126713568
6-ethyl-8-methoxyquinoline
CID 137438692
2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline
CID 175385817

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline?
The IUPAC name of 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline (CID 127035078) is 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline.
What is the SMILES notation for 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline?
The canonical SMILES for 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline is COc1nc2cc3cccnc3c(Cl)c2nc1-c1ccccc1.
What is the InChIKey of 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline?
The InChIKey is PPNXCZYJADNODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c1-23-18-16(11-6-3-2-4-7-11)22-17-13(21-18)10-12-8-5-9-20-15(12)14(17)19/h2-10H,1H3.
What are the key properties of 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline?
5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline has a molecular weight of 321.77 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline is sourced from PubChem (CID 127035078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).