10-chloro-9-methoxycinnolino[3,4-b]quinoxaline

C15H9ClN4O — CID 10447302

IUPAC10-chloro-9-methoxycinnolino[3,4-b]quinoxaline
SMILESCOc1cc2nc3nnc4ccccc4c3nc2cc1Cl
InChIInChI=1S/C15H9ClN4O/c1-21-13-7-12-11(6-9(13)16)17-14-8-4-2-3-5-10(8)19-20-15(14)18-12/h2-7H,1H3
InChIKeyKOGDQSLQQQPBNE-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.39
Rot. Bonds1

About 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline

10-chloro-9-methoxycinnolino[3,4-b]quinoxaline (PubChem CID 10447302) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline.

Molecular Properties

Compound Name10-chloro-9-methoxycinnolino[3,4-b]quinoxaline
PubChem CID10447302
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name10-chloro-9-methoxycinnolino[3,4-b]quinoxaline
SMILESCOc1cc2nc3nnc4ccccc4c3nc2cc1Cl
InChIInChI=1S/C15H9ClN4O/c1-21-13-7-12-11(6-9(13)16)17-14-8-4-2-3-5-10(8)19-20-15(14)18-12/h2-7H,1H3
InChIKeyKOGDQSLQQQPBNE-UHFFFAOYSA-N
XLogP3.39
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.39
H-Bond Donors ≤ 50
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

4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine
CID 56952633
11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
CID 139247806
3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine
CID 90749385
6-chloro-N-ethyl-7-methoxy-3-quinolin-5-ylquinoxalin-2-amine
CID 56952634
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287876
4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline
CID 170432136
6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
CID 56952735
3,4-dichlorocinnoline
CID 14643415
3,4,5,6,8,9-hexazatricyclo[8.8.0.02,7]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene
CID 68540845
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline
CID 59631212

Frequently Asked Questions

What is the IUPAC name of 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline?
The IUPAC name of 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline (CID 10447302) is 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline.
What is the SMILES notation for 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline?
The canonical SMILES for 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline is COc1cc2nc3nnc4ccccc4c3nc2cc1Cl.
What is the InChIKey of 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline?
The InChIKey is KOGDQSLQQQPBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c1-21-13-7-12-11(6-9(13)16)17-14-8-4-2-3-5-10(8)19-20-15(14)18-12/h2-7H,1H3.
What are the key properties of 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline?
10-chloro-9-methoxycinnolino[3,4-b]quinoxaline has a molecular weight of 296.72 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-9-methoxycinnolino[3,4-b]quinoxaline is sourced from PubChem (CID 10447302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).