4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine

C26H25N3O — CID 4209175

IUPAC4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine
SMILESCc1cc(C)c2nc(NN=Cc3ccc(OCc4ccccc4)cc3)cc(C)c2c1
InChIInChI=1S/C26H25N3O/c1-18-13-20(3)26-24(14-18)19(2)15-25(28-26)29-27-16-21-9-11-23(12-10-21)30-17-22-7-5-4-6-8-22/h4-16H,17H2,1-3H3,(H,28,29)
InChIKeyYGBLQRCKRQCGEZ-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.19
Rot. Bonds6

About 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine

4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine (PubChem CID 4209175) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine.

Molecular Properties

Compound Name4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine
PubChem CID4209175
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine
SMILESCc1cc(C)c2nc(NN=Cc3ccc(OCc4ccccc4)cc3)cc(C)c2c1
InChIInChI=1S/C26H25N3O/c1-18-13-20(3)26-24(14-18)19(2)15-25(28-26)29-27-16-21-9-11-23(12-10-21)30-17-22-7-5-4-6-8-22/h4-16H,17H2,1-3H3,(H,28,29)
InChIKeyYGBLQRCKRQCGEZ-UHFFFAOYSA-N
XLogP6.19
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.19
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 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine?
The IUPAC name of 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine (CID 4209175) is 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine.
What is the SMILES notation for 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine?
The canonical SMILES for 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine is Cc1cc(C)c2nc(NN=Cc3ccc(OCc4ccccc4)cc3)cc(C)c2c1.
What is the InChIKey of 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine?
The InChIKey is YGBLQRCKRQCGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-18-13-20(3)26-24(14-18)19(2)15-25(28-26)29-27-16-21-9-11-23(12-10-21)30-17-22-7-5-4-6-8-22/h4-16H,17H2,1-3H3,(H,28,29).
What are the key properties of 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine?
4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine has a molecular weight of 395.51 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine is sourced from PubChem (CID 4209175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).