1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline

C19H15N3O2 — CID 11120684

IUPAC1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline
SMILESCOc1nc(OC)c2nc3ccccc3nc2c1-c1ccccc1
InChIInChI=1S/C19H15N3O2/c1-23-18-15(12-8-4-3-5-9-12)16-17(19(22-18)24-2)21-14-11-7-6-10-13(14)20-16/h3-11H,1-2H3
InChIKeyLMOSRXNZDAJWPR-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.86
Rot. Bonds3

About 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline

1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline (PubChem CID 11120684) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline.

Molecular Properties

Compound Name1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline
PubChem CID11120684
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline
SMILESCOc1nc(OC)c2nc3ccccc3nc2c1-c1ccccc1
InChIInChI=1S/C19H15N3O2/c1-23-18-15(12-8-4-3-5-9-12)16-17(19(22-18)24-2)21-14-11-7-6-10-13(14)20-16/h3-11H,1-2H3
InChIKeyLMOSRXNZDAJWPR-UHFFFAOYSA-N
XLogP3.86
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-2-methylsulfanyl-5-phenylpyrimidine
CID 139072516
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
3,5,9,11,15,24-hexamethoxy-6,12,23-triphenyl-2,8,14-triazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
CID 141245193
2-fluoro-3-methoxyquinoxaline
CID 69493695
(6-phenylbenzo[a]phenazin-5-yl) butanoate
CID 3843083
4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine
CID 23000521
2-methoxy-3-(2-methyl-5-phenyltriazol-4-yl)quinoxaline
CID 90346229
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-methoxy-4-methyl-3-phenylpyridine
CID 46315014
4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine
CID 135036036
2,4-dimethoxy-3-propylquinoline
CID 70166737
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline?
The IUPAC name of 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline (CID 11120684) is 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline.
What is the SMILES notation for 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline?
The canonical SMILES for 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline is COc1nc(OC)c2nc3ccccc3nc2c1-c1ccccc1.
What is the InChIKey of 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline?
The InChIKey is LMOSRXNZDAJWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-23-18-15(12-8-4-3-5-9-12)16-17(19(22-18)24-2)21-14-11-7-6-10-13(14)20-16/h3-11H,1-2H3.
What are the key properties of 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline?
1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline has a molecular weight of 317.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline is sourced from PubChem (CID 11120684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).