8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine

C19H19N3O2 — CID 44537224

IUPAC8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCOc1cccc(C=NNc2cc(C)nc3c(OC)cccc23)c1
InChIInChI=1S/C19H19N3O2/c1-13-10-17(16-8-5-9-18(24-3)19(16)21-13)22-20-12-14-6-4-7-15(11-14)23-2/h4-12H,1-3H3,(H,21,22)
InChIKeyGIWCXFHEFKDMSG-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.01
Rot. Bonds5

About 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine

8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine (PubChem CID 44537224) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
PubChem CID44537224
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCOc1cccc(C=NNc2cc(C)nc3c(OC)cccc23)c1
InChIInChI=1S/C19H19N3O2/c1-13-10-17(16-8-5-9-18(24-3)19(16)21-13)22-20-12-14-6-4-7-15(11-14)23-2/h4-12H,1-3H3,(H,21,22)
InChIKeyGIWCXFHEFKDMSG-UHFFFAOYSA-N
XLogP4.01
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The IUPAC name of 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine (CID 44537224) is 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine.
What is the SMILES notation for 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The canonical SMILES for 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine is COc1cccc(C=NNc2cc(C)nc3c(OC)cccc23)c1.
What is the InChIKey of 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The InChIKey is GIWCXFHEFKDMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-10-17(16-8-5-9-18(24-3)19(16)21-13)22-20-12-14-6-4-7-15(11-14)23-2/h4-12H,1-3H3,(H,21,22).
What are the key properties of 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine is sourced from PubChem (CID 44537224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).