2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one

C26H24N4O3 — CID 138542994

IUPAC2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C26H24N4O3/c31-24-22-11-4-5-12-23(22)27-26(28-24)30-15-13-29(14-16-30)25(32)20-9-6-10-21(17-20)33-18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,27,28,31)
InChIKeyIEKJUOOKPCUDHM-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one

2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one (PubChem CID 138542994) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
PubChem CID138542994
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C26H24N4O3/c31-24-22-11-4-5-12-23(22)27-26(28-24)30-15-13-29(14-16-30)25(32)20-9-6-10-21(17-20)33-18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,27,28,31)
InChIKeyIEKJUOOKPCUDHM-UHFFFAOYSA-N
XLogP3.46
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(3,5-difluorophenyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543156
2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543038
2-[4-[4-[3-(1-fluoro-1-phosphanylethyl)phenoxy]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 142555409
2-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543072
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
2-[4-(3-tert-butyl-5-chlorobenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543136
2-[4-[4-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylbenzoyl]piperazin-1-yl]-3H-quinazolin-4-one;2-[4-[3-(2-methyl-6-phenylmethoxyphenyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543167
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137261639
2-[4-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543152
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 46656199

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one (CID 138542994) is 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one is O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one?
The InChIKey is IEKJUOOKPCUDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-24-22-11-4-5-12-23(22)27-26(28-24)30-15-13-29(14-16-30)25(32)20-9-6-10-21(17-20)33-18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,27,28,31).
What are the key properties of 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one?
2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one has a molecular weight of 440.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 138542994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).