2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline

C16H17N3O — CID 3683269

IUPAC2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline
SMILESCOc1ccc2c(C)cc(-n3nc(C)cc3C)nc2c1
InChIInChI=1S/C16H17N3O/c1-10-7-16(19-12(3)8-11(2)18-19)17-15-9-13(20-4)5-6-14(10)15/h5-9H,1-4H3
InChIKeyDQFXGMKXGCUYFB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline

2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline (PubChem CID 3683269) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline
PubChem CID3683269
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline
SMILESCOc1ccc2c(C)cc(-n3nc(C)cc3C)nc2c1
InChIInChI=1S/C16H17N3O/c1-10-7-16(19-12(3)8-11(2)18-19)17-15-9-13(20-4)5-6-14(10)15/h5-9H,1-4H3
InChIKeyDQFXGMKXGCUYFB-UHFFFAOYSA-N
XLogP3.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline (CID 3683269) is 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline is COc1ccc2c(C)cc(-n3nc(C)cc3C)nc2c1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline?
The InChIKey is DQFXGMKXGCUYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-7-16(19-12(3)8-11(2)18-19)17-15-9-13(20-4)5-6-14(10)15/h5-9H,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline?
2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline has a molecular weight of 267.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline is sourced from PubChem (CID 3683269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).