1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline

C14H13N3O2 — CID 13266613

IUPAC1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline
SMILESCOc1nnc(OC)c2c1c(C)nc1ccccc12
InChIInChI=1S/C14H13N3O2/c1-8-11-12(9-6-4-5-7-10(9)15-8)14(19-3)17-16-13(11)18-2/h4-7H,1-3H3
InChIKeyUUMQVBLGWCSDHQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.50
Rot. Bonds2

About 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline

1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline (PubChem CID 13266613) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline.

Molecular Properties

Compound Name1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline
PubChem CID13266613
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline
SMILESCOc1nnc(OC)c2c1c(C)nc1ccccc12
InChIInChI=1S/C14H13N3O2/c1-8-11-12(9-6-4-5-7-10(9)15-8)14(19-3)17-16-13(11)18-2/h4-7H,1-3H3
InChIKeyUUMQVBLGWCSDHQ-UHFFFAOYSA-N
XLogP2.50
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-2-methylquinoline
CID 50915397
1,3,5-trimethylbenzo[c][2,6]naphthyridine
CID 118895235
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
2,4-dimethoxyquinazoline;hydrate;hydrochloride
CID 157300135
3-methoxy-4-phenylsulfanylcinnoline
CID 15889677
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
3,4-dichloro-2-methylquinoline;platinum
CID 159361617
2,4-dimethoxy-3-propylquinoline
CID 70166737
2-(4-methoxyquinazolin-2-yl)phenol
CID 4601327
2-methoxyquinolin-4-amine;hydrochloride
CID 126782028
1-methoxy-3-methylisoquinoline
CID 66489764
2-fluoro-3-methoxyquinoxaline
CID 69493695

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline?
The IUPAC name of 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline (CID 13266613) is 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline.
What is the SMILES notation for 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline?
The canonical SMILES for 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline is COc1nnc(OC)c2c1c(C)nc1ccccc12.
What is the InChIKey of 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline?
The InChIKey is UUMQVBLGWCSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-11-12(9-6-4-5-7-10(9)15-8)14(19-3)17-16-13(11)18-2/h4-7H,1-3H3.
What are the key properties of 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline?
1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline has a molecular weight of 255.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline is sourced from PubChem (CID 13266613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).