3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one

C24H33N5O2 — CID 126898464

IUPAC3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
SMILESO=C1CCCCN1CCN1CCN(c2ccc3c(=O)n(C4CCCC4)cnc3c2)CC1
InChIInChI=1S/C24H33N5O2/c30-23-7-3-4-10-28(23)16-13-26-11-14-27(15-12-26)20-8-9-21-22(17-20)25-18-29(24(21)31)19-5-1-2-6-19/h8-9,17-19H,1-7,10-16H2
InChIKeyORVWGRIYPKDGLN-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.65
Rot. Bonds5

About 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one

3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126898464) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126898464
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
SMILESO=C1CCCCN1CCN1CCN(c2ccc3c(=O)n(C4CCCC4)cnc3c2)CC1
InChIInChI=1S/C24H33N5O2/c30-23-7-3-4-10-28(23)16-13-26-11-14-27(15-12-26)20-8-9-21-22(17-20)25-18-29(24(21)31)19-5-1-2-6-19/h8-9,17-19H,1-7,10-16H2
InChIKeyORVWGRIYPKDGLN-UHFFFAOYSA-N
XLogP2.65
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898408
3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898477
3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898388
3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898520
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
3-propan-2-yl-7-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897472
3-(cyclopropylmethyl)-7-[4-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126897793
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one (CID 126898464) is 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one is O=C1CCCCN1CCN1CCN(c2ccc3c(=O)n(C4CCCC4)cnc3c2)CC1.
What is the InChIKey of 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is ORVWGRIYPKDGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c30-23-7-3-4-10-28(23)16-13-26-11-14-27(15-12-26)20-8-9-21-22(17-20)25-18-29(24(21)31)19-5-1-2-6-19/h8-9,17-19H,1-7,10-16H2.
What are the key properties of 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one?
3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 423.56 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).