N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine

C20H19N3O — CID 44537123

IUPACN-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NN=CC=Cc3ccccc3)cc(C)nc2c1
InChIInChI=1S/C20H19N3O/c1-15-13-20(18-11-10-17(24-2)14-19(18)22-15)23-21-12-6-9-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,22,23)
InChIKeyMPWVBYKIQPIQPR-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.66
Rot. Bonds5

About N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine

N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine (PubChem CID 44537123) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine
PubChem CID44537123
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NN=CC=Cc3ccccc3)cc(C)nc2c1
InChIInChI=1S/C20H19N3O/c1-15-13-20(18-11-10-17(24-2)14-19(18)22-15)23-21-12-6-9-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,22,23)
InChIKeyMPWVBYKIQPIQPR-UHFFFAOYSA-N
XLogP4.66
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.66
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-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine (CID 44537123) is N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine is COc1ccc2c(NN=CC=Cc3ccccc3)cc(C)nc2c1.
What is the InChIKey of N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine?
The InChIKey is MPWVBYKIQPIQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-13-20(18-11-10-17(24-2)14-19(18)22-15)23-21-12-6-9-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,22,23).
What are the key properties of N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine?
N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine has a molecular weight of 317.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-7-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 44537123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).