6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one

C15H15N3O3 — CID 135442261

IUPAC6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCCn1cccc1
InChIInChI=1S/C15H15N3O3/c1-20-13-8-11-12(16-10-17-15(11)19)9-14(13)21-7-6-18-4-2-3-5-18/h2-5,8-10H,6-7H2,1H3,(H,16,17,19)
InChIKeyQVEMIVPOCFTULQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.81
Rot. Bonds5

About 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one

6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one (PubChem CID 135442261) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
PubChem CID135442261
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCCn1cccc1
InChIInChI=1S/C15H15N3O3/c1-20-13-8-11-12(16-10-17-15(11)19)9-14(13)21-7-6-18-4-2-3-5-18/h2-5,8-10H,6-7H2,1H3,(H,16,17,19)
InChIKeyQVEMIVPOCFTULQ-UHFFFAOYSA-N
XLogP1.81
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
CID 135496860
6-methoxy-7-(2-methylsulfanylethoxy)-3H-quinazolin-4-one;hydrochloride
CID 135549386
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
6,7-dimethoxy-3H-quinazolin-4-one;formamide
CID 158241473
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
6-acetyl-7-methoxy-3H-quinazolin-4-one
CID 137176609
7-[(2S,3S,4S,5R)-6-fluoro-1,3,4,5,6-pentahydroxyhexan-2-yl]oxy-6-methoxy-3H-quinazolin-4-one
CID 140867589
ethyl 7-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]heptanoate
CID 136597375

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one (CID 135442261) is 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one is COc1cc2c(=O)[nH]cnc2cc1OCCn1cccc1.
What is the InChIKey of 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one?
The InChIKey is QVEMIVPOCFTULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-13-8-11-12(16-10-17-15(11)19)9-14(13)21-7-6-18-4-2-3-5-18/h2-5,8-10H,6-7H2,1H3,(H,16,17,19).
What are the key properties of 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one?
6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one has a molecular weight of 285.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 135442261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).