2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one

C20H22N2O2 — CID 168551335

IUPAC2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
SMILESCCCCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1C
InChIInChI=1S/C20H22N2O2/c1-3-4-7-12-24-18-13-15(11-10-14(18)2)19-21-17-9-6-5-8-16(17)20(23)22-19/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,21,22,23)
InChIKeyJSCIOHFGFGTHGD-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.47
Rot. Bonds6

About 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one

2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168551335) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
PubChem CID168551335
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
SMILESCCCCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1C
InChIInChI=1S/C20H22N2O2/c1-3-4-7-12-24-18-13-15(11-10-14(18)2)19-21-17-9-6-5-8-16(17)20(23)22-19/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,21,22,23)
InChIKeyJSCIOHFGFGTHGD-UHFFFAOYSA-N
XLogP4.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.47
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-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
CID 168553903
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551953
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551146
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
CID 168550890

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one (CID 168551335) is 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one is CCCCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1C.
What is the InChIKey of 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is JSCIOHFGFGTHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-4-7-12-24-18-13-15(11-10-14(18)2)19-21-17-9-6-5-8-16(17)20(23)22-19/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one?
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 322.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).