(4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane

C15H24N4O2 — CID 143019785

IUPAC(4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane
SMILESCC.NCCCN1C(=O)C(CO)/C(=N\N)c2ccccc21
InChIInChI=1S/C13H18N4O2.C2H6/c14-6-3-7-17-11-5-2-1-4-9(11)12(16-15)10(8-18)13(17)19;1-2/h1-2,4-5,10,18H,3,6-8,14-15H2;1-2H3/b16-12-;
InChIKeySBKDBMKBIVNYAU-PXJKFVASSA-N
MW292.38 g/mol
LogP0.68
Rot. Bonds4

About (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane

(4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane (PubChem CID 143019785) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane.

Molecular Properties

Compound Name(4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane
PubChem CID143019785
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane
SMILESCC.NCCCN1C(=O)C(CO)/C(=N\N)c2ccccc21
InChIInChI=1S/C13H18N4O2.C2H6/c14-6-3-7-17-11-5-2-1-4-9(11)12(16-15)10(8-18)13(17)19;1-2/h1-2,4-5,10,18H,3,6-8,14-15H2;1-2H3/b16-12-;
InChIKeySBKDBMKBIVNYAU-PXJKFVASSA-N
XLogP0.68
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane?
The IUPAC name of (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane (CID 143019785) is (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane.
What is the SMILES notation for (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane?
The canonical SMILES for (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane is CC.NCCCN1C(=O)C(CO)/C(=N\N)c2ccccc21.
What is the InChIKey of (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane?
The InChIKey is SBKDBMKBIVNYAU-PXJKFVASSA-N. The full InChI is InChI=1S/C13H18N4O2.C2H6/c14-6-3-7-17-11-5-2-1-4-9(11)12(16-15)10(8-18)13(17)19;1-2/h1-2,4-5,10,18H,3,6-8,14-15H2;1-2H3/b16-12-;.
What are the key properties of (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane?
(4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane has a molecular weight of 292.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-(3-aminopropyl)-4-hydrazinylidene-3-(hydroxymethyl)quinolin-2-one;ethane is sourced from PubChem (CID 143019785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).