7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one

C24H28FN5O2 — CID 157036696

IUPAC7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one
SMILESCCCNCC(=O)CC.COc1cc2c(-c3cnn4cc(C)cnc34)ccnc2cc1F
InChIInChI=1S/C17H13FN4O.C7H15NO/c1-10-7-20-17-13(8-21-22(17)9-10)11-3-4-19-15-6-14(18)16(23-2)5-12(11)15;1-3-5-8-6-7(9)4-2/h3-9H,1-2H3;8H,3-6H2,1-2H3
InChIKeyNFNOCVRDOOEMIQ-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.37
Rot. Bonds7

About 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one

7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one (PubChem CID 157036696) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one
PubChem CID157036696
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one
SMILESCCCNCC(=O)CC.COc1cc2c(-c3cnn4cc(C)cnc34)ccnc2cc1F
InChIInChI=1S/C17H13FN4O.C7H15NO/c1-10-7-20-17-13(8-21-22(17)9-10)11-3-4-19-15-6-14(18)16(23-2)5-12(11)15;1-3-5-8-6-7(9)4-2/h3-9H,1-2H3;8H,3-6H2,1-2H3
InChIKeyNFNOCVRDOOEMIQ-UHFFFAOYSA-N
XLogP4.37
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one?
The IUPAC name of 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one (CID 157036696) is 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one.
What is the SMILES notation for 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one?
The canonical SMILES for 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one is CCCNCC(=O)CC.COc1cc2c(-c3cnn4cc(C)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one?
The InChIKey is NFNOCVRDOOEMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O.C7H15NO/c1-10-7-20-17-13(8-21-22(17)9-10)11-3-4-19-15-6-14(18)16(23-2)5-12(11)15;1-3-5-8-6-7(9)4-2/h3-9H,1-2H3;8H,3-6H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one?
7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one has a molecular weight of 437.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one is sourced from PubChem (CID 157036696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).