3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one

C22H26N6O2 — CID 126898520

IUPAC3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESCn1nc(N2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)ccc1=O
InChIInChI=1S/C22H26N6O2/c1-25-21(29)9-8-20(24-25)27-12-10-26(11-13-27)17-6-7-18-19(14-17)23-15-28(22(18)30)16-4-2-3-5-16/h6-9,14-16H,2-5,10-13H2,1H3
InChIKeyRRYGTIGFJGHFRB-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.93
Rot. Bonds3

About 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one

3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126898520) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126898520
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESCn1nc(N2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)ccc1=O
InChIInChI=1S/C22H26N6O2/c1-25-21(29)9-8-20(24-25)27-12-10-26(11-13-27)17-6-7-18-19(14-17)23-15-28(22(18)30)16-4-2-3-5-16/h6-9,14-16H,2-5,10-13H2,1H3
InChIKeyRRYGTIGFJGHFRB-UHFFFAOYSA-N
XLogP1.93
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one with MolForge

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Related Compounds

3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898477
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-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898408
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
3-(cyclopropylmethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897780
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 126896407
7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896770
3-(2-hydroxyethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898729
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
CID 126896965

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one (CID 126898520) is 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one is Cn1nc(N2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)ccc1=O.
What is the InChIKey of 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is RRYGTIGFJGHFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-25-21(29)9-8-20(24-25)27-12-10-26(11-13-27)17-6-7-18-19(14-17)23-15-28(22(18)30)16-4-2-3-5-16/h6-9,14-16H,2-5,10-13H2,1H3.
What are the key properties of 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one?
3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 406.49 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).