(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride

C15H19ClN4O — CID 56642890

IUPAC(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)N/N=C/c1ccc2ncccc2c1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-10(2)14(16)15(20)19-18-9-11-5-6-13-12(8-11)4-3-7-17-13;/h3-10,14H,16H2,1-2H3,(H,19,20);1H/b18-9+;/t14-;/m1./s1
InChIKeyULWMGPMAGLCNQV-PWGOHOTFSA-N
MW306.80 g/mol
LogP2.09
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride

(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride (PubChem CID 56642890) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride
PubChem CID56642890
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)N/N=C/c1ccc2ncccc2c1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-10(2)14(16)15(20)19-18-9-11-5-6-13-12(8-11)4-3-7-17-13;/h3-10,14H,16H2,1-2H3,(H,19,20);1H/b18-9+;/t14-;/m1./s1
InChIKeyULWMGPMAGLCNQV-PWGOHOTFSA-N
XLogP2.09
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride (CID 56642890) is (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride is CC(C)[C@@H](N)C(=O)N/N=C/c1ccc2ncccc2c1.Cl.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride?
The InChIKey is ULWMGPMAGLCNQV-PWGOHOTFSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c1-10(2)14(16)15(20)19-18-9-11-5-6-13-12(8-11)4-3-7-17-13;/h3-10,14H,16H2,1-2H3,(H,19,20);1H/b18-9+;/t14-;/m1./s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride?
(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]butanamide;hydrochloride is sourced from PubChem (CID 56642890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).