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

C23H28N6O2 — CID 126898408

IUPAC3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
SMILESO=c1ncccn1CCN1CCN(c2ccc3c(=O)n(C4CCCC4)cnc3c2)CC1
InChIInChI=1S/C23H28N6O2/c30-22-20-7-6-19(16-21(20)25-17-29(22)18-4-1-2-5-18)27-13-10-26(11-14-27)12-15-28-9-3-8-24-23(28)31/h3,6-9,16-18H,1-2,4-5,10-15H2
InChIKeyBVIDWSVWFLENLF-UHFFFAOYSA-N
MW420.52 g/mol
LogP1.89
Rot. Bonds5

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

3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126898408) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126898408
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
SMILESO=c1ncccn1CCN1CCN(c2ccc3c(=O)n(C4CCCC4)cnc3c2)CC1
InChIInChI=1S/C23H28N6O2/c30-22-20-7-6-19(16-21(20)25-17-29(22)18-4-1-2-5-18)27-13-10-26(11-14-27)12-15-28-9-3-8-24-23(28)31/h3,6-9,16-18H,1-2,4-5,10-15H2
InChIKeyBVIDWSVWFLENLF-UHFFFAOYSA-N
XLogP1.89
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898464
3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898388
3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898477
3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898520
7-[4-(4-cyclopropyl-3-oxopyrazin-2-yl)piperazin-1-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126898256
3-(cyclopropylmethyl)-7-[4-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126897793
3-(2-hydroxyethyl)-7-[4-[2-(2-oxopyrazin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898736
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
3-(2,2-difluoroethyl)-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898061
3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897882
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one (CID 126898408) is 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one is O=c1ncccn1CCN1CCN(c2ccc3c(=O)n(C4CCCC4)cnc3c2)CC1.
What is the InChIKey of 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is BVIDWSVWFLENLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c30-22-20-7-6-19(16-21(20)25-17-29(22)18-4-1-2-5-18)27-13-10-26(11-14-27)12-15-28-9-3-8-24-23(28)31/h3,6-9,16-18H,1-2,4-5,10-15H2.
What are the key properties of 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one?
3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 420.52 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).