3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

C17H13FN4O — CID 166824909

IUPAC3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESCOc1ccc2ncc(F)c(-c3cnn4cc(C)cnc34)c2c1
InChIInChI=1S/C17H13FN4O/c1-10-6-20-17-13(7-21-22(17)9-10)16-12-5-11(23-2)3-4-15(12)19-8-14(16)18/h3-9H,1-2H3
InChIKeyBWSBHJMEOUPQBS-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.40
Rot. Bonds2

About 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (PubChem CID 166824909) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.

Molecular Properties

Compound Name3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
PubChem CID166824909
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESCOc1ccc2ncc(F)c(-c3cnn4cc(C)cnc34)c2c1
InChIInChI=1S/C17H13FN4O/c1-10-6-20-17-13(7-21-22(17)9-10)16-12-5-11(23-2)3-4-15(12)19-8-14(16)18/h3-9H,1-2H3
InChIKeyBWSBHJMEOUPQBS-UHFFFAOYSA-N
XLogP3.40
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-methyl-3-nitroquinoline
CID 612778
8-methoxy-2-(4-methylphenyl)pyrazolo[3,4-c]quinoline
CID 141354712
4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 157036389
6-fluoro-4-(4-methoxyphenyl)-3-methylquinoline
CID 122371652
5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid
CID 150936100
8-methoxy-2-methylthieno[2,3-c]quinoline
CID 141424177
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropanal
CID 145147650
4-(hydroxymethyl)-6-methoxyquinolin-3-ol
CID 67246471
6-methoxy-3-nitro-4-phenylquinoline
CID 139655167
(3-fluoro-6-methoxyquinolin-4-yl)-(1-methyl-2-methylidenecyclobutyl)methanol
CID 132565965
2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
CID 10473681

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The IUPAC name of 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (CID 166824909) is 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.
What is the SMILES notation for 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The canonical SMILES for 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is COc1ccc2ncc(F)c(-c3cnn4cc(C)cnc34)c2c1.
What is the InChIKey of 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The InChIKey is BWSBHJMEOUPQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-10-6-20-17-13(7-21-22(17)9-10)16-12-5-11(23-2)3-4-15(12)19-8-14(16)18/h3-9H,1-2H3.
What are the key properties of 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline has a molecular weight of 308.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is sourced from PubChem (CID 166824909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).