3-[3-(3-methylphenoxy)propyl]quinazolin-4-one

C18H18N2O2 — CID 30466913

IUPAC3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
SMILESCc1cccc(OCCCn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C18H18N2O2/c1-14-6-4-7-15(12-14)22-11-5-10-20-13-19-17-9-3-2-8-16(17)18(20)21/h2-4,6-9,12-13H,5,10-11H2,1H3
InChIKeyMVUBIMKPZOBKPG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.17
Rot. Bonds5

About 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one

3-[3-(3-methylphenoxy)propyl]quinazolin-4-one (PubChem CID 30466913) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
PubChem CID30466913
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
SMILESCc1cccc(OCCCn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C18H18N2O2/c1-14-6-4-7-15(12-14)22-11-5-10-20-13-19-17-9-3-2-8-16(17)18(20)21/h2-4,6-9,12-13H,5,10-11H2,1H3
InChIKeyMVUBIMKPZOBKPG-UHFFFAOYSA-N
XLogP3.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 2150317
3-[3-(3-nitrophenoxy)propyl]quinazolin-4-one
CID 2995196
3-(4-oxoquinazolin-3-yl)propyl 3-butoxybenzoate
CID 30338475
3-[3-(2,3,5-trimethylphenoxy)propyl]quinazolin-4-one
CID 2216367
3-[3-(1,3-benzodioxol-5-yloxy)propyl]quinazolin-4-one
CID 60593195
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
3-[3-(2-tert-butyl-6-methylphenoxy)propyl]quinazolin-4-one
CID 2300171
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
3-[4-(4-methyl-2-nitrophenoxy)butyl]quinazolin-4-one
CID 2922684
3-propylquinazolin-4-one
CID 529124
3-[4-(4-bromo-2-methylphenoxy)butyl]quinazolin-4-one
CID 2299969
N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one?
The IUPAC name of 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one (CID 30466913) is 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one is Cc1cccc(OCCCn2cnc3ccccc3c2=O)c1.
What is the InChIKey of 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one?
The InChIKey is MVUBIMKPZOBKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-6-4-7-15(12-14)22-11-5-10-20-13-19-17-9-3-2-8-16(17)18(20)21/h2-4,6-9,12-13H,5,10-11H2,1H3.
What are the key properties of 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one?
3-[3-(3-methylphenoxy)propyl]quinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenoxy)propyl]quinazolin-4-one is sourced from PubChem (CID 30466913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).