(4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone

C18H23N5O — CID 24777525

IUPAC(4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone
SMILESCC/C=N/Nc1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C18H23N5O/c1-3-8-19-21-17-13-15(14-6-4-5-7-16(14)20-17)18(24)23-11-9-22(2)10-12-23/h4-8,13H,3,9-12H2,1-2H3,(H,20,21)/b19-8+
InChIKeyADDQNTULBMIDAE-UFWORHAWSA-N
MW325.42 g/mol
LogP2.43
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone

(4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone (PubChem CID 24777525) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone
PubChem CID24777525
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone
SMILESCC/C=N/Nc1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C18H23N5O/c1-3-8-19-21-17-13-15(14-6-4-5-7-16(14)20-17)18(24)23-11-9-22(2)10-12-23/h4-8,13H,3,9-12H2,1-2H3,(H,20,21)/b19-8+
InChIKeyADDQNTULBMIDAE-UFWORHAWSA-N
XLogP2.43
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone (CID 24777525) is (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone is CC/C=N/Nc1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone?
The InChIKey is ADDQNTULBMIDAE-UFWORHAWSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-8-19-21-17-13-15(14-6-4-5-7-16(14)20-17)18(24)23-11-9-22(2)10-12-23/h4-8,13H,3,9-12H2,1-2H3,(H,20,21)/b19-8+.
What are the key properties of (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone?
(4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-[(2E)-2-propylidenehydrazinyl]quinolin-4-yl]methanone is sourced from PubChem (CID 24777525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).