[7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone

C18H17FN4O2 — CID 31045230

IUPAC[7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2cc(C(=O)N3CCOCC3)c3ccc(F)cc3n2)cn1
InChIInChI=1S/C18H17FN4O2/c1-22-11-12(10-20-22)16-9-15(18(24)23-4-6-25-7-5-23)14-3-2-13(19)8-17(14)21-16/h2-3,8-11H,4-7H2,1H3
InChIKeyVESGSFUHNVANCC-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.25
Rot. Bonds2

About [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone

[7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 31045230) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID31045230
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2cc(C(=O)N3CCOCC3)c3ccc(F)cc3n2)cn1
InChIInChI=1S/C18H17FN4O2/c1-22-11-12(10-20-22)16-9-15(18(24)23-4-6-25-7-5-23)14-3-2-13(19)8-17(14)21-16/h2-3,8-11H,4-7H2,1H3
InChIKeyVESGSFUHNVANCC-UHFFFAOYSA-N
XLogP2.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 31045230) is [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone is Cn1cc(-c2cc(C(=O)N3CCOCC3)c3ccc(F)cc3n2)cn1.
What is the InChIKey of [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is VESGSFUHNVANCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-22-11-12(10-20-22)16-9-15(18(24)23-4-6-25-7-5-23)14-3-2-13(19)8-17(14)21-16/h2-3,8-11H,4-7H2,1H3.
What are the key properties of [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
[7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 340.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 31045230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).