N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine

C19H19ClN4 — CID 58987758

IUPACN-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine
SMILESCNc1ccc(Cl)cc1/C(C)=N/N(C)c1ccc2ccccc2n1
InChIInChI=1S/C19H19ClN4/c1-13(16-12-15(20)9-10-18(16)21-2)23-24(3)19-11-8-14-6-4-5-7-17(14)22-19/h4-12,21H,1-3H3/b23-13+
InChIKeyNWWQYTFEPFRTME-YDZHTSKRSA-N
MW338.84 g/mol
LogP4.79
Rot. Bonds4

About N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine

N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine (PubChem CID 58987758) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine
PubChem CID58987758
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC NameN-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine
SMILESCNc1ccc(Cl)cc1/C(C)=N/N(C)c1ccc2ccccc2n1
InChIInChI=1S/C19H19ClN4/c1-13(16-12-15(20)9-10-18(16)21-2)23-24(3)19-11-8-14-6-4-5-7-17(14)22-19/h4-12,21H,1-3H3/b23-13+
InChIKeyNWWQYTFEPFRTME-YDZHTSKRSA-N
XLogP4.79
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
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 N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine?
The IUPAC name of N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine (CID 58987758) is N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine.
What is the SMILES notation for N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine?
The canonical SMILES for N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine is CNc1ccc(Cl)cc1/C(C)=N/N(C)c1ccc2ccccc2n1.
What is the InChIKey of N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine?
The InChIKey is NWWQYTFEPFRTME-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13(16-12-15(20)9-10-18(16)21-2)23-24(3)19-11-8-14-6-4-5-7-17(14)22-19/h4-12,21H,1-3H3/b23-13+.
What are the key properties of N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine?
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine has a molecular weight of 338.84 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine is sourced from PubChem (CID 58987758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).