7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine

C21H17N3O — CID 44596214

IUPAC7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine
SMILESCOc1ccc2c(N/N=C/c3ccc4ccccc4c3)ccnc2c1
InChIInChI=1S/C21H17N3O/c1-25-18-8-9-19-20(10-11-22-21(19)13-18)24-23-14-15-6-7-16-4-2-3-5-17(16)12-15/h2-14H,1H3,(H,22,24)/b23-14+
InChIKeyFLJXVSZGPPAPIB-OEAKJJBVSA-N
MW327.39 g/mol
LogP4.84
Rot. Bonds4

About 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine

7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine (PubChem CID 44596214) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine
PubChem CID44596214
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine
SMILESCOc1ccc2c(N/N=C/c3ccc4ccccc4c3)ccnc2c1
InChIInChI=1S/C21H17N3O/c1-25-18-8-9-19-20(10-11-22-21(19)13-18)24-23-14-15-6-7-16-4-2-3-5-17(16)12-15/h2-14H,1H3,(H,22,24)/b23-14+
InChIKeyFLJXVSZGPPAPIB-OEAKJJBVSA-N
XLogP4.84
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'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 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine?
The IUPAC name of 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine (CID 44596214) is 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine?
The canonical SMILES for 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine is COc1ccc2c(N/N=C/c3ccc4ccccc4c3)ccnc2c1.
What is the InChIKey of 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine?
The InChIKey is FLJXVSZGPPAPIB-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-18-8-9-19-20(10-11-22-21(19)13-18)24-23-14-15-6-7-16-4-2-3-5-17(16)12-15/h2-14H,1H3,(H,22,24)/b23-14+.
What are the key properties of 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine?
7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(E)-naphthalen-2-ylmethylideneamino]quinolin-4-amine is sourced from PubChem (CID 44596214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).