2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one

C23H32N4O2 — CID 42714371

IUPAC2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C23H32N4O2/c1-17(22-24-20-10-6-5-9-19(20)23(29)25(22)2)26-13-15-27(16-14-26)21(28)12-11-18-7-3-4-8-18/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3
InChIKeyDPPCGDPCIPEQLF-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.11
Rot. Bonds5

About 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one

2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one (PubChem CID 42714371) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
PubChem CID42714371
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C23H32N4O2/c1-17(22-24-20-10-6-5-9-19(20)23(29)25(22)2)26-13-15-27(16-14-26)21(28)12-11-18-7-3-4-8-18/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3
InChIKeyDPPCGDPCIPEQLF-UHFFFAOYSA-N
XLogP3.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993534
N-(2,4-dichlorophenyl)-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714391
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
3-(4-bromophenyl)-2-[1-(4-hexanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 42716002
1-[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 55917218
2-[1-[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993243
3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 58710167
3-cyclopentyl-N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42713203
5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 46324292
3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
CID 42717162
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194575

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one (CID 42714371) is 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one is CC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The InChIKey is DPPCGDPCIPEQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17(22-24-20-10-6-5-9-19(20)23(29)25(22)2)26-13-15-27(16-14-26)21(28)12-11-18-7-3-4-8-18/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3.
What are the key properties of 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one has a molecular weight of 396.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 42714371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).