4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline

C23H28N6O — CID 126895527

IUPAC4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
SMILESCc1cnc(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)cn1
InChIInChI=1S/C23H28N6O/c1-17-13-25-18(14-24-17)15-28-8-10-29(11-9-28)19-6-7-22-21(12-19)23(27-16-26-22)30-20-4-2-3-5-20/h6-7,12-14,16,20H,2-5,8-11,15H2,1H3
InChIKeyWIVGIRIQSHAYHG-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.37
Rot. Bonds5

About 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline

4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline (PubChem CID 126895527) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
PubChem CID126895527
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
SMILESCc1cnc(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)cn1
InChIInChI=1S/C23H28N6O/c1-17-13-25-18(14-24-17)15-28-8-10-29(11-9-28)19-6-7-22-21(12-19)23(27-16-26-22)30-20-4-2-3-5-20/h6-7,12-14,16,20H,2-5,8-11,15H2,1H3
InChIKeyWIVGIRIQSHAYHG-UHFFFAOYSA-N
XLogP3.37
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline with MolForge

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Related Compounds

4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
4-(2,2-difluoroethoxy)-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126896504
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514
5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 126895445
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline (CID 126895527) is 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline is Cc1cnc(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)cn1.
What is the InChIKey of 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is WIVGIRIQSHAYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-13-25-18(14-24-17)15-28-8-10-29(11-9-28)19-6-7-22-21(12-19)23(27-16-26-22)30-20-4-2-3-5-20/h6-7,12-14,16,20H,2-5,8-11,15H2,1H3.
What are the key properties of 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline?
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 404.52 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126895527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).