2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one

C18H18N2O2 — CID 168551146

IUPAC2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one
SMILESCCCOCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-11-22-12-13-7-9-14(10-8-13)17-19-16-6-4-3-5-15(16)18(21)20-17/h3-10H,2,11-12H2,1H3,(H,19,20,21)
InChIKeyHMMKGRPXQMUVKO-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.52
Rot. Bonds5

About 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one

2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168551146) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one
PubChem CID168551146
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one
SMILESCCCOCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-11-22-12-13-7-9-14(10-8-13)17-19-16-6-4-3-5-15(16)18(21)20-17/h3-10H,2,11-12H2,1H3,(H,19,20,21)
InChIKeyHMMKGRPXQMUVKO-UHFFFAOYSA-N
XLogP3.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551161
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one (CID 168551146) is 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one is CCCOCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is HMMKGRPXQMUVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-11-22-12-13-7-9-14(10-8-13)17-19-16-6-4-3-5-15(16)18(21)20-17/h3-10H,2,11-12H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one?
2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).