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

C16H21ClN4O — CID 56642865

IUPAC(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride
SMILESCCC(C)[C@@H](N)C(=O)N/N=C/c1ccc2ncccc2c1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-3-11(2)15(17)16(21)20-19-10-12-6-7-14-13(9-12)5-4-8-18-14;/h4-11,15H,3,17H2,1-2H3,(H,20,21);1H/b19-10+;/t11?,15-;/m1./s1
InChIKeyMZAURFNCRPDNAM-UWEHJTGKSA-N
MW320.82 g/mol
LogP2.48
Rot. Bonds5

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

(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride (PubChem CID 56642865) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride
PubChem CID56642865
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride
SMILESCCC(C)[C@@H](N)C(=O)N/N=C/c1ccc2ncccc2c1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-3-11(2)15(17)16(21)20-19-10-12-6-7-14-13(9-12)5-4-8-18-14;/h4-11,15H,3,17H2,1-2H3,(H,20,21);1H/b19-10+;/t11?,15-;/m1./s1
InChIKeyMZAURFNCRPDNAM-UWEHJTGKSA-N
XLogP2.48
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.48
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]pentanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride (CID 56642865) is (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride is CCC(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]pentanamide;hydrochloride?
The InChIKey is MZAURFNCRPDNAM-UWEHJTGKSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-3-11(2)15(17)16(21)20-19-10-12-6-7-14-13(9-12)5-4-8-18-14;/h4-11,15H,3,17H2,1-2H3,(H,20,21);1H/b19-10+;/t11?,15-;/m1./s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride?
(2R)-2-amino-3-methyl-N-[(E)-quinolin-6-ylmethylideneamino]pentanamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.48, 5 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]pentanamide;hydrochloride is sourced from PubChem (CID 56642865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).