3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one

C27H28N4O2 — CID 11761983

IUPAC3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
SMILESCOc1ccccc1N1CCN(CCn2c(-c3ccccc3)nc3ccccc3c2=O)CC1
InChIInChI=1S/C27H28N4O2/c1-33-25-14-8-7-13-24(25)30-18-15-29(16-19-30)17-20-31-26(21-9-3-2-4-10-21)28-23-12-6-5-11-22(23)27(31)32/h2-14H,15-20H2,1H3
InChIKeyMUERFRMGJJDVGN-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.89
Rot. Bonds6

About 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one (PubChem CID 11761983) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
PubChem CID11761983
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
SMILESCOc1ccccc1N1CCN(CCn2c(-c3ccccc3)nc3ccccc3c2=O)CC1
InChIInChI=1S/C27H28N4O2/c1-33-25-14-8-7-13-24(25)30-18-15-29(16-19-30)17-20-31-26(21-9-3-2-4-10-21)28-23-12-6-5-11-22(23)27(31)32/h2-14H,15-20H2,1H3
InChIKeyMUERFRMGJJDVGN-UHFFFAOYSA-N
XLogP3.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 101108349
1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387788
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline
CID 11123072
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387790
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one
CID 98040637
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124
ethyl 6-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4-dioxoquinazolin-1-yl]hexanoate
CID 13387770

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one (CID 11761983) is 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one is COc1ccccc1N1CCN(CCn2c(-c3ccccc3)nc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one?
The InChIKey is MUERFRMGJJDVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-33-25-14-8-7-13-24(25)30-18-15-29(16-19-30)17-20-31-26(21-9-3-2-4-10-21)28-23-12-6-5-11-22(23)27(31)32/h2-14H,15-20H2,1H3.
What are the key properties of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one?
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one has a molecular weight of 440.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 11761983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).