6-(3-methoxyanilino)quinazoline-5,8-dione

C15H11N3O3 — CID 130408015

IUPAC6-(3-methoxyanilino)quinazoline-5,8-dione
SMILESCOc1cccc(NC2=CC(=O)c3ncncc3C2=O)c1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-3-9(5-10)18-12-6-13(19)14-11(15(12)20)7-16-8-17-14/h2-8,18H,1H3
InChIKeyIGZZQBBQIPQCDM-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.86
Rot. Bonds3

About 6-(3-methoxyanilino)quinazoline-5,8-dione

6-(3-methoxyanilino)quinazoline-5,8-dione (PubChem CID 130408015) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(3-methoxyanilino)quinazoline-5,8-dione.

Molecular Properties

Compound Name6-(3-methoxyanilino)quinazoline-5,8-dione
PubChem CID130408015
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name6-(3-methoxyanilino)quinazoline-5,8-dione
SMILESCOc1cccc(NC2=CC(=O)c3ncncc3C2=O)c1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-3-9(5-10)18-12-6-13(19)14-11(15(12)20)7-16-8-17-14/h2-8,18H,1H3
InChIKeyIGZZQBBQIPQCDM-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

2-[(4-methoxyphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3773077
2-(3-methoxy-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10453719
6-[4-(Trifluoromethoxy)anilino]quinazoline-5,8-dione
CID 10903785
6-(3,4-Dimethoxyanilino)quinazoline-5,8-dione
CID 130408041
6-[4-(Hydroxymethyl)anilino]quinazoline-5,8-dione
CID 130408042
6-(4-Methoxyanilino)quinazoline-5,8-dione
CID 130408058
6-(3,4,5-Trimethoxyanilino)quinazoline-5,8-dione
CID 130408071
3-({4-[(3-Methoxyphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138029
7-Chloro-6-(2,4-dimethoxyanilino)quinazoline-5,8-dione
CID 10405313
2-(2-Aminoethylamino)-4-(3-methoxyphenylamino)pyrimidine-5-carboxamide
CID 15458392
6-(1,3-Benzodioxol-5-ylamino)-7-chloroquinazoline-5,8-dione
CID 44342008
7-Chloro-6-(2-ethoxyanilino)quinazoline-5,8-dione
CID 44342055

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyanilino)quinazoline-5,8-dione?
The IUPAC name of 6-(3-methoxyanilino)quinazoline-5,8-dione (CID 130408015) is 6-(3-methoxyanilino)quinazoline-5,8-dione.
What is the SMILES notation for 6-(3-methoxyanilino)quinazoline-5,8-dione?
The canonical SMILES for 6-(3-methoxyanilino)quinazoline-5,8-dione is COc1cccc(NC2=CC(=O)c3ncncc3C2=O)c1.
What is the InChIKey of 6-(3-methoxyanilino)quinazoline-5,8-dione?
The InChIKey is IGZZQBBQIPQCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-21-10-4-2-3-9(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-(3-methoxyanilino)quinazoline-5,8-dione?
6-(3-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-(3-methoxyanilino)quinazoline-5,8-dione is sourced from PubChem (CID 130408015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).