6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine

C28H28N4O2 — CID 53306750

IUPAC6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
SMILES[H]/N=C(\c1ccccc1OC)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C28H28N4O2/c1-18-6-5-8-22(27(29)21-7-3-4-9-25(21)33-2)26(18)19-10-11-23-20(16-19)17-24(28(30)31-23)32-12-14-34-15-13-32/h3-11,16-17,29H,12-15H2,1-2H3,(H2,30,31)/b29-27+
InChIKeyLXQLGFJEFNRNED-ORIPQNMZSA-N
MW452.56 g/mol
LogP5.05
Rot. Bonds5

About 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine

6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine (PubChem CID 53306750) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
PubChem CID53306750
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
SMILES[H]/N=C(\c1ccccc1OC)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C28H28N4O2/c1-18-6-5-8-22(27(29)21-7-3-4-9-25(21)33-2)26(18)19-10-11-23-20(16-19)17-24(28(30)31-23)32-12-14-34-15-13-32/h3-11,16-17,29H,12-15H2,1-2H3,(H2,30,31)/b29-27+
InChIKeyLXQLGFJEFNRNED-ORIPQNMZSA-N
XLogP5.05
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine?
The IUPAC name of 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine (CID 53306750) is 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine.
What is the SMILES notation for 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine?
The canonical SMILES for 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine is [H]/N=C(\c1ccccc1OC)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine?
The InChIKey is LXQLGFJEFNRNED-ORIPQNMZSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-18-6-5-8-22(27(29)21-7-3-4-9-25(21)33-2)26(18)19-10-11-23-20(16-19)17-24(28(30)31-23)32-12-14-34-15-13-32/h3-11,16-17,29H,12-15H2,1-2H3,(H2,30,31)/b29-27+.
What are the key properties of 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine?
6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine has a molecular weight of 452.56 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxybenzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine is sourced from PubChem (CID 53306750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).