3-[(4-propoxyphenyl)methyl]quinazolin-4-one

C18H18N2O2 — CID 75386785

IUPAC3-[(4-propoxyphenyl)methyl]quinazolin-4-one
SMILESCCCOc1ccc(Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-2-11-22-15-9-7-14(8-10-15)12-20-13-19-17-6-4-3-5-16(17)18(20)21/h3-10,13H,2,11-12H2,1H3
InChIKeyRDDWEYIAIWDCQI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.23
Rot. Bonds5

About 3-[(4-propoxyphenyl)methyl]quinazolin-4-one

3-[(4-propoxyphenyl)methyl]quinazolin-4-one (PubChem CID 75386785) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(4-propoxyphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-propoxyphenyl)methyl]quinazolin-4-one
PubChem CID75386785
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[(4-propoxyphenyl)methyl]quinazolin-4-one
SMILESCCCOc1ccc(Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-2-11-22-15-9-7-14(8-10-15)12-20-13-19-17-6-4-3-5-16(17)18(20)21/h3-10,13H,2,11-12H2,1H3
InChIKeyRDDWEYIAIWDCQI-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propoxyphenyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(4-propoxyphenyl)methyl]quinazolin-4-one (CID 75386785) is 3-[(4-propoxyphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(4-propoxyphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(4-propoxyphenyl)methyl]quinazolin-4-one is CCCOc1ccc(Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(4-propoxyphenyl)methyl]quinazolin-4-one?
The InChIKey is RDDWEYIAIWDCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-11-22-15-9-7-14(8-10-15)12-20-13-19-17-6-4-3-5-16(17)18(20)21/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 3-[(4-propoxyphenyl)methyl]quinazolin-4-one?
3-[(4-propoxyphenyl)methyl]quinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propoxyphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 75386785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).