N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine

C27H23N3O — CID 44537236

IUPACN-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2c(NN=Cc3c4ccccc4cc4ccccc34)cc(C)nc2c1
InChIInChI=1S/C27H23N3O/c1-3-31-21-12-13-24-26(16-21)29-18(2)14-27(24)30-28-17-25-22-10-6-4-8-19(22)15-20-9-5-7-11-23(20)25/h4-17H,3H2,1-2H3,(H,29,30)
InChIKeyAXNKNEIXZRBGBW-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.69
Rot. Bonds5

About N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine

N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine (PubChem CID 44537236) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine
PubChem CID44537236
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC NameN-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2c(NN=Cc3c4ccccc4cc4ccccc34)cc(C)nc2c1
InChIInChI=1S/C27H23N3O/c1-3-31-21-12-13-24-26(16-21)29-18(2)14-27(24)30-28-17-25-22-10-6-4-8-19(22)15-20-9-5-7-11-23(20)25/h4-17H,3H2,1-2H3,(H,29,30)
InChIKeyAXNKNEIXZRBGBW-UHFFFAOYSA-N
XLogP6.69
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.69
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine (CID 44537236) is N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine is CCOc1ccc2c(NN=Cc3c4ccccc4cc4ccccc34)cc(C)nc2c1.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine?
The InChIKey is AXNKNEIXZRBGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-3-31-21-12-13-24-26(16-21)29-18(2)14-27(24)30-28-17-25-22-10-6-4-8-19(22)15-20-9-5-7-11-23(20)25/h4-17H,3H2,1-2H3,(H,29,30).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine?
N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine has a molecular weight of 405.50 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)-7-ethoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 44537236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).