5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde

C23H21FN4O2 — CID 127030659

IUPAC5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=C(c2ccc(F)cc2)CC1c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C23H21FN4O2/c24-18-7-5-16(6-8-18)21-14-22(28(15-29)26-21)19-13-17-3-1-2-4-20(17)25-23(19)27-9-11-30-12-10-27/h1-8,13,15,22H,9-12,14H2
InChIKeyHEKONDXBBCEWJU-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.52
Rot. Bonds4

About 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde

5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde (PubChem CID 127030659) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde
PubChem CID127030659
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=C(c2ccc(F)cc2)CC1c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C23H21FN4O2/c24-18-7-5-16(6-8-18)21-14-22(28(15-29)26-21)19-13-17-3-1-2-4-20(17)25-23(19)27-9-11-30-12-10-27/h1-8,13,15,22H,9-12,14H2
InChIKeyHEKONDXBBCEWJU-UHFFFAOYSA-N
XLogP3.52
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde?
The IUPAC name of 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde (CID 127030659) is 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde?
The canonical SMILES for 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde is O=CN1N=C(c2ccc(F)cc2)CC1c1cc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde?
The InChIKey is HEKONDXBBCEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-18-7-5-16(6-8-18)21-14-22(28(15-29)26-21)19-13-17-3-1-2-4-20(17)25-23(19)27-9-11-30-12-10-27/h1-8,13,15,22H,9-12,14H2.
What are the key properties of 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde?
5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde has a molecular weight of 404.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde is sourced from PubChem (CID 127030659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).