2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one

C30H30N4O4 — CID 137296812

IUPAC2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one
SMILESO=C1C(Nc2ccccc2)=C/C(=N\c2ccccc2)c2c(O)c(N3CCOCC3)cc(N3CCOCC3)c21
InChIInChI=1S/C30H30N4O4/c35-29-24(32-22-9-5-2-6-10-22)19-23(31-21-7-3-1-4-8-21)27-28(29)25(33-11-15-37-16-12-33)20-26(30(27)36)34-13-17-38-18-14-34/h1-10,19-20,32,36H,11-18H2/b31-23+
InChIKeyZRYDWWZPSYXUEV-UQRQXUALSA-N
MW510.59 g/mol
LogP4.38
Rot. Bonds5

About 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one

2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one (PubChem CID 137296812) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one.

Molecular Properties

Compound Name2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one
PubChem CID137296812
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one
SMILESO=C1C(Nc2ccccc2)=C/C(=N\c2ccccc2)c2c(O)c(N3CCOCC3)cc(N3CCOCC3)c21
InChIInChI=1S/C30H30N4O4/c35-29-24(32-22-9-5-2-6-10-22)19-23(31-21-7-3-1-4-8-21)27-28(29)25(33-11-15-37-16-12-33)20-26(30(27)36)34-13-17-38-18-14-34/h1-10,19-20,32,36H,11-18H2/b31-23+
InChIKeyZRYDWWZPSYXUEV-UQRQXUALSA-N
XLogP4.38
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one?
The IUPAC name of 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one (CID 137296812) is 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one.
What is the SMILES notation for 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one?
The canonical SMILES for 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one is O=C1C(Nc2ccccc2)=C/C(=N\c2ccccc2)c2c(O)c(N3CCOCC3)cc(N3CCOCC3)c21.
What is the InChIKey of 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one?
The InChIKey is ZRYDWWZPSYXUEV-UQRQXUALSA-N. The full InChI is InChI=1S/C30H30N4O4/c35-29-24(32-22-9-5-2-6-10-22)19-23(31-21-7-3-1-4-8-21)27-28(29)25(33-11-15-37-16-12-33)20-26(30(27)36)34-13-17-38-18-14-34/h1-10,19-20,32,36H,11-18H2/b31-23+.
What are the key properties of 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one?
2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one has a molecular weight of 510.59 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-hydroxy-6,8-dimorpholin-4-yl-4-phenyliminonaphthalen-1-one is sourced from PubChem (CID 137296812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).