4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline

C20H24N6O3S — CID 126895341

IUPAC4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline
SMILESCn1ccnc1S(=O)(=O)N1CCN(c2ccc3ncnc(OC4CCC4)c3c2)CC1
InChIInChI=1S/C20H24N6O3S/c1-24-8-7-21-20(24)30(27,28)26-11-9-25(10-12-26)15-5-6-18-17(13-15)19(23-14-22-18)29-16-3-2-4-16/h5-8,13-14,16H,2-4,9-12H2,1H3
InChIKeyRPQAVXHHBAKEPJ-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.81
Rot. Bonds5

About 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline

4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline (PubChem CID 126895341) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline
PubChem CID126895341
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline
SMILESCn1ccnc1S(=O)(=O)N1CCN(c2ccc3ncnc(OC4CCC4)c3c2)CC1
InChIInChI=1S/C20H24N6O3S/c1-24-8-7-21-20(24)30(27,28)26-11-9-25(10-12-26)15-5-6-18-17(13-15)19(23-14-22-18)29-16-3-2-4-16/h5-8,13-14,16H,2-4,9-12H2,1H3
InChIKeyRPQAVXHHBAKEPJ-UHFFFAOYSA-N
XLogP1.81
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
2-cyclopropyl-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine
CID 172906410
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 126895487

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline?
The IUPAC name of 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline (CID 126895341) is 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline?
The canonical SMILES for 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline is Cn1ccnc1S(=O)(=O)N1CCN(c2ccc3ncnc(OC4CCC4)c3c2)CC1.
What is the InChIKey of 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline?
The InChIKey is RPQAVXHHBAKEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-24-8-7-21-20(24)30(27,28)26-11-9-25(10-12-26)15-5-6-18-17(13-15)19(23-14-22-18)29-16-3-2-4-16/h5-8,13-14,16H,2-4,9-12H2,1H3.
What are the key properties of 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline?
4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline has a molecular weight of 428.52 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 126895341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).