3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one

C28H30N2O4 — CID 2010216

IUPAC3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCCOc1ccc(OCCCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H30N2O4/c1-3-33-23-15-17-24(18-16-23)34-20-8-4-7-19-30-27(21-11-13-22(32-2)14-12-21)29-26-10-6-5-9-25(26)28(30)31/h5-6,9-18H,3-4,7-8,19-20H2,1-2H3
InChIKeyCHXURJFJROGZIL-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.72
Rot. Bonds11

About 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one

3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 2010216) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
PubChem CID2010216
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCCOc1ccc(OCCCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H30N2O4/c1-3-33-23-15-17-24(18-16-23)34-20-8-4-7-19-30-27(21-11-13-22(32-2)14-12-21)29-26-10-6-5-9-25(26)28(30)31/h5-6,9-18H,3-4,7-8,19-20H2,1-2H3
InChIKeyCHXURJFJROGZIL-UHFFFAOYSA-N
XLogP5.72
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-3-[5-(4-propan-2-ylphenoxy)pentyl]quinazolin-4-one
CID 2021024
3-[6-(3,4-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2024284
3-[5-(2,5-dichlorophenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3650027
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2004073
3-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3534114
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529
2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one
CID 3620665
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2014020
[4-[4-oxo-3-[6-[4-oxo-2-(4-sulfooxyphenyl)quinazolin-3-yl]hexyl]quinazolin-2-yl]phenyl] hydrogen sulfate
CID 171345321
2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one
CID 15991202

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one (CID 2010216) is 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one is CCOc1ccc(OCCCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is CHXURJFJROGZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-3-33-23-15-17-24(18-16-23)34-20-8-4-7-19-30-27(21-11-13-22(32-2)14-12-21)29-26-10-6-5-9-25(26)28(30)31/h5-6,9-18H,3-4,7-8,19-20H2,1-2H3.
What are the key properties of 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one?
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 458.56 g/mol, XLogP of 5.72, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 2010216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).