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

C18H18N2O3 — CID 168551806

IUPAC2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
SMILESCOCCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-11-4-12-23-14-9-7-13(8-10-14)17-19-16-6-3-2-5-15(16)18(21)20-17/h2-3,5-10H,4,11-12H2,1H3,(H,19,20,21)
InChIKeyVYZKWCPZHWZNEV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.01
Rot. Bonds6

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

2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168551806) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
PubChem CID168551806
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
SMILESCOCCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-11-4-12-23-14-9-7-13(8-10-14)17-19-16-6-3-2-5-15(16)18(21)20-17/h2-3,5-10H,4,11-12H2,1H3,(H,19,20,21)
InChIKeyVYZKWCPZHWZNEV-UHFFFAOYSA-N
XLogP3.01
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanenitrile
CID 168552456
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]benzonitrile
CID 168551260
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551146
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one (CID 168551806) is 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one is COCCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is VYZKWCPZHWZNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-11-4-12-23-14-9-7-13(8-10-14)17-19-16-6-3-2-5-15(16)18(21)20-17/h2-3,5-10H,4,11-12H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one?
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 310.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).