(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone

C21H24N4O2 — CID 45207187

IUPAC(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
SMILESCCc1ccc2nc(-c3cn[nH]c3)cc(C(=O)N3CCOC(CC)C3)c2c1
InChIInChI=1S/C21H24N4O2/c1-3-14-5-6-19-17(9-14)18(10-20(24-19)15-11-22-23-12-15)21(26)25-7-8-27-16(4-2)13-25/h5-6,9-12,16H,3-4,7-8,13H2,1-2H3,(H,22,23)
InChIKeyKXLBXDSABGVIBA-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.44
Rot. Bonds4

About (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone

(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 45207187) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID45207187
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
SMILESCCc1ccc2nc(-c3cn[nH]c3)cc(C(=O)N3CCOC(CC)C3)c2c1
InChIInChI=1S/C21H24N4O2/c1-3-14-5-6-19-17(9-14)18(10-20(24-19)15-11-22-23-12-15)21(26)25-7-8-27-16(4-2)13-25/h5-6,9-12,16H,3-4,7-8,13H2,1-2H3,(H,22,23)
InChIKeyKXLBXDSABGVIBA-UHFFFAOYSA-N
XLogP3.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
CID 31005506
[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
CID 45207147
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
(4-chloroquinolin-2-yl)-(2-ethylmorpholin-4-yl)methanone
CID 63375773
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
(2-ethylmorpholin-4-yl)-(6-methoxyquinolin-2-yl)methanone
CID 146085525
1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one
CID 46998920
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
[6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 45239374
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 94014410

Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone (CID 45207187) is (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone is CCc1ccc2nc(-c3cn[nH]c3)cc(C(=O)N3CCOC(CC)C3)c2c1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is KXLBXDSABGVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-14-5-6-19-17(9-14)18(10-20(24-19)15-11-22-23-12-15)21(26)25-7-8-27-16(4-2)13-25/h5-6,9-12,16H,3-4,7-8,13H2,1-2H3,(H,22,23).
What are the key properties of (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone?
(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 45207187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).