4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide

C22H30N4O3S — CID 126895433

IUPAC4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)CC1
InChIInChI=1S/C22H30N4O3S/c27-30(28)12-6-17(7-13-30)15-25-8-10-26(11-9-25)18-4-5-21-20(14-18)22(24-16-23-21)29-19-2-1-3-19/h4-5,14,16-17,19H,1-3,6-13,15H2
InChIKeyBGKKFWPKIKLBKI-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.51
Rot. Bonds5

About 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide

4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide (PubChem CID 126895433) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
PubChem CID126895433
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)CC1
InChIInChI=1S/C22H30N4O3S/c27-30(28)12-6-17(7-13-30)15-25-8-10-26(11-9-25)18-4-5-21-20(14-18)22(24-16-23-21)29-19-2-1-3-19/h4-5,14,16-17,19H,1-3,6-13,15H2
InChIKeyBGKKFWPKIKLBKI-UHFFFAOYSA-N
XLogP2.51
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide with MolForge

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Related Compounds

1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
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
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 126895445
[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 126895487
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide?
The IUPAC name of 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide (CID 126895433) is 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide is O=S1(=O)CCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)CC1.
What is the InChIKey of 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide?
The InChIKey is BGKKFWPKIKLBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c27-30(28)12-6-17(7-13-30)15-25-8-10-26(11-9-25)18-4-5-21-20(14-18)22(24-16-23-21)29-19-2-1-3-19/h4-5,14,16-17,19H,1-3,6-13,15H2.
What are the key properties of 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide?
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide has a molecular weight of 430.57 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide is sourced from PubChem (CID 126895433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).