(4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one

C25H24N4O2 — CID 6488290

IUPAC(4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2cccc(C)c2nc1N1CCOCC1
InChIInChI=1S/C25H24N4O2/c1-17-7-6-8-19-15-20(24(26-23(17)19)28-11-13-31-14-12-28)16-22-18(2)27-29(25(22)30)21-9-4-3-5-10-21/h3-10,15-16H,11-14H2,1-2H3/b22-16-
InChIKeyKLASNIFJEIWELB-JWGURIENSA-N
MW412.49 g/mol
LogP4.19
Rot. Bonds3

About (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one

(4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one (PubChem CID 6488290) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one
PubChem CID6488290
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2cccc(C)c2nc1N1CCOCC1
InChIInChI=1S/C25H24N4O2/c1-17-7-6-8-19-15-20(24(26-23(17)19)28-11-13-31-14-12-28)16-22-18(2)27-29(25(22)30)21-9-4-3-5-10-21/h3-10,15-16H,11-14H2,1-2H3/b22-16-
InChIKeyKLASNIFJEIWELB-JWGURIENSA-N
XLogP4.19
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one?
The IUPAC name of (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one (CID 6488290) is (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one.
What is the SMILES notation for (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one?
The canonical SMILES for (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2cccc(C)c2nc1N1CCOCC1.
What is the InChIKey of (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one?
The InChIKey is KLASNIFJEIWELB-JWGURIENSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-7-6-8-19-15-20(24(26-23(17)19)28-11-13-31-14-12-28)16-22-18(2)27-29(25(22)30)21-9-4-3-5-10-21/h3-10,15-16H,11-14H2,1-2H3/b22-16-.
What are the key properties of (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one?
(4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one has a molecular weight of 412.49 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenylpyrazol-3-one is sourced from PubChem (CID 6488290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).