6-(4-methoxyanilino)quinazoline-5,8-dione

C15H11N3O3 — CID 130408058

IUPAC6-(4-methoxyanilino)quinazoline-5,8-dione
SMILESCOc1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-12-6-13(19)14-11(15(12)20)7-16-8-17-14/h2-8,18H,1H3
InChIKeyDMFUPXJLKCRMEF-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.86
Rot. Bonds3

About 6-(4-methoxyanilino)quinazoline-5,8-dione

6-(4-methoxyanilino)quinazoline-5,8-dione (PubChem CID 130408058) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(4-methoxyanilino)quinazoline-5,8-dione.

Molecular Properties

Compound Name6-(4-methoxyanilino)quinazoline-5,8-dione
PubChem CID130408058
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name6-(4-methoxyanilino)quinazoline-5,8-dione
SMILESCOc1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-12-6-13(19)14-11(15(12)20)7-16-8-17-14/h2-8,18H,1H3
InChIKeyDMFUPXJLKCRMEF-UHFFFAOYSA-N
XLogP1.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
2-Methylsulfanyl-pyrimidine-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 6489028
2-[(4-methoxyphenyl)amino]-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664248
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015
2-(3-Methoxy-phenyl)-1H-[1,8]naphthyridin-4-one
CID 381133
2-(3-Methoxy-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one
CID 381134
2-(3-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one
CID 384634
2-[(4-methoxyphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3773077
2-(4-methoxyphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10250508
6-[4-(Trifluoromethoxy)anilino]quinazoline-5,8-dione
CID 10903785
2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 57389158
5-(Pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72203284

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)quinazoline-5,8-dione?
The IUPAC name of 6-(4-methoxyanilino)quinazoline-5,8-dione (CID 130408058) is 6-(4-methoxyanilino)quinazoline-5,8-dione.
What is the SMILES notation for 6-(4-methoxyanilino)quinazoline-5,8-dione?
The canonical SMILES for 6-(4-methoxyanilino)quinazoline-5,8-dione is COc1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyanilino)quinazoline-5,8-dione?
The InChIKey is DMFUPXJLKCRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-12-6-13(19)14-11(15(12)20)7-16-8-17-14/h2-8,18H,1H3.
What are the key properties of 6-(4-methoxyanilino)quinazoline-5,8-dione?
6-(4-methoxyanilino)quinazoline-5,8-dione has a molecular weight of 281.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)quinazoline-5,8-dione is sourced from PubChem (CID 130408058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).