(4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane

C16H23ClN4O — CID 143019661

IUPAC(4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane
SMILESC=C1C(=O)N(CCCN)c2ccccc2/C1=N/NC.CCCl
InChIInChI=1S/C14H18N4O.C2H5Cl/c1-10-13(17-16-2)11-6-3-4-7-12(11)18(14(10)19)9-5-8-15;1-2-3/h3-4,6-7,16H,1,5,8-9,15H2,2H3;2H2,1H3/b17-13+;
InChIKeyCGFCCYHBUDXMPG-IWSIBTJSSA-N
MW322.84 g/mol
LogP2.11
Rot. Bonds4

About (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane

(4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane (PubChem CID 143019661) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane.

Molecular Properties

Compound Name(4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane
PubChem CID143019661
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name(4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane
SMILESC=C1C(=O)N(CCCN)c2ccccc2/C1=N/NC.CCCl
InChIInChI=1S/C14H18N4O.C2H5Cl/c1-10-13(17-16-2)11-6-3-4-7-12(11)18(14(10)19)9-5-8-15;1-2-3/h3-4,6-7,16H,1,5,8-9,15H2,2H3;2H2,1H3/b17-13+;
InChIKeyCGFCCYHBUDXMPG-IWSIBTJSSA-N
XLogP2.11
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane?
The IUPAC name of (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane (CID 143019661) is (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane.
What is the SMILES notation for (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane?
The canonical SMILES for (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane is C=C1C(=O)N(CCCN)c2ccccc2/C1=N/NC.CCCl.
What is the InChIKey of (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane?
The InChIKey is CGFCCYHBUDXMPG-IWSIBTJSSA-N. The full InChI is InChI=1S/C14H18N4O.C2H5Cl/c1-10-13(17-16-2)11-6-3-4-7-12(11)18(14(10)19)9-5-8-15;1-2-3/h3-4,6-7,16H,1,5,8-9,15H2,2H3;2H2,1H3/b17-13+;.
What are the key properties of (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane?
(4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane has a molecular weight of 322.84 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(3-aminopropyl)-4-(methylhydrazinylidene)-3-methylidenequinolin-2-one;chloroethane is sourced from PubChem (CID 143019661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).