4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline

C22H26N6O — CID 126895365

IUPAC4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
SMILESCc1nccnc1CN1CCN(c2ccc3ncnc(OC4CCC4)c3c2)CC1
InChIInChI=1S/C22H26N6O/c1-16-21(24-8-7-23-16)14-27-9-11-28(12-10-27)17-5-6-20-19(13-17)22(26-15-25-20)29-18-3-2-4-18/h5-8,13,15,18H,2-4,9-12,14H2,1H3
InChIKeyGZEIVDADJVTUIR-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.98
Rot. Bonds5

About 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline

4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline (PubChem CID 126895365) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
PubChem CID126895365
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
SMILESCc1nccnc1CN1CCN(c2ccc3ncnc(OC4CCC4)c3c2)CC1
InChIInChI=1S/C22H26N6O/c1-16-21(24-8-7-23-16)14-27-9-11-28(12-10-27)17-5-6-20-19(13-17)22(26-15-25-20)29-18-3-2-4-18/h5-8,13,15,18H,2-4,9-12,14H2,1H3
InChIKeyGZEIVDADJVTUIR-UHFFFAOYSA-N
XLogP2.98
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
CID 126896702
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-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline
CID 126895341

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline (CID 126895365) is 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline is Cc1nccnc1CN1CCN(c2ccc3ncnc(OC4CCC4)c3c2)CC1.
What is the InChIKey of 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is GZEIVDADJVTUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-16-21(24-8-7-23-16)14-27-9-11-28(12-10-27)17-5-6-20-19(13-17)22(26-15-25-20)29-18-3-2-4-18/h5-8,13,15,18H,2-4,9-12,14H2,1H3.
What are the key properties of 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline?
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 390.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126895365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).