[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone

C20H22N4O2 — CID 29183031

IUPAC[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C20H22N4O2/c1-3-14-4-5-18-16(10-14)17(20(25)24-6-8-26-9-7-24)11-19(22-18)15-12-21-23(2)13-15/h4-5,10-13H,3,6-9H2,1-2H3
InChIKeyLQVNYOFVSSZBKX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.67
Rot. Bonds3

About [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone

[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 29183031) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID29183031
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C20H22N4O2/c1-3-14-4-5-18-16(10-14)17(20(25)24-6-8-26-9-7-24)11-19(22-18)15-12-21-23(2)13-15/h4-5,10-13H,3,6-9H2,1-2H3
InChIKeyLQVNYOFVSSZBKX-UHFFFAOYSA-N
XLogP2.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 29183031) is [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone is CCc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N3CCOCC3)c2c1.
What is the InChIKey of [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is LQVNYOFVSSZBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-14-4-5-18-16(10-14)17(20(25)24-6-8-26-9-7-24)11-19(22-18)15-12-21-23(2)13-15/h4-5,10-13H,3,6-9H2,1-2H3.
What are the key properties of [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 350.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 29183031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).