3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one

C29H24N2O2 — CID 17035993

IUPAC3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
SMILESCOc1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C29H24N2O2/c1-33-25-17-11-21(12-18-25)19-20-31-28(30-27-10-6-5-9-26(27)29(31)32)24-15-13-23(14-16-24)22-7-3-2-4-8-22/h2-18H,19-20H2,1H3
InChIKeyLYVIVXPXVMXLAR-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.98
Rot. Bonds6

About 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one

3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one (PubChem CID 17035993) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
PubChem CID17035993
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
SMILESCOc1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C29H24N2O2/c1-33-25-17-11-21(12-18-25)19-20-31-28(30-27-10-6-5-9-26(27)29(31)32)24-15-13-23(14-16-24)22-7-3-2-4-8-22/h2-18H,19-20H2,1H3
InChIKeyLYVIVXPXVMXLAR-UHFFFAOYSA-N
XLogP5.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
3-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3534114
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2004073
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2014020
3-[6-(3,4-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2024284
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
2-(4-methoxyphenyl)-3-[5-(4-propan-2-ylphenoxy)pentyl]quinazolin-4-one
CID 2021024
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one
CID 22484567
3-ethyl-2-phenylquinazolin-4-one
CID 12626608

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one (CID 17035993) is 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one is COc1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one?
The InChIKey is LYVIVXPXVMXLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2/c1-33-25-17-11-21(12-18-25)19-20-31-28(30-27-10-6-5-9-26(27)29(31)32)24-15-13-23(14-16-24)22-7-3-2-4-8-22/h2-18H,19-20H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one?
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one has a molecular weight of 432.52 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one is sourced from PubChem (CID 17035993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).