2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione

C24H19NO3 — CID 70694292

IUPAC2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione
SMILESCOc1ccc(CNC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H19NO3/c1-28-18-13-11-16(12-14-18)15-25-22-21(17-7-3-2-4-8-17)23(26)19-9-5-6-10-20(19)24(22)27/h2-14,25H,15H2,1H3
InChIKeyDGWJJTNGZUQVMM-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.28
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione

2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione (PubChem CID 70694292) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione
PubChem CID70694292
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione
SMILESCOc1ccc(CNC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H19NO3/c1-28-18-13-11-16(12-14-18)15-25-22-21(17-7-3-2-4-8-17)23(26)19-9-5-6-10-20(19)24(22)27/h2-14,25H,15H2,1H3
InChIKeyDGWJJTNGZUQVMM-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
CID 22432990
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one
CID 155908549
2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one
CID 22433016
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
CID 57326285
2-(4-methoxyphenyl)-3-(pyridin-3-ylamino)inden-1-one
CID 22433028
2-(benzylamino)-3-(propylamino)naphthalene-1,4-dione
CID 20725728
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide
CID 56642992
2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid
CID 54555837

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione (CID 70694292) is 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione is COc1ccc(CNC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione?
The InChIKey is DGWJJTNGZUQVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-28-18-13-11-16(12-14-18)15-25-22-21(17-7-3-2-4-8-17)23(26)19-9-5-6-10-20(19)24(22)27/h2-14,25H,15H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione?
2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione has a molecular weight of 369.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione is sourced from PubChem (CID 70694292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).