3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol

C22H30N4O3 — CID 126896397

IUPAC3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
SMILESOC1(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)CCCOC1
InChIInChI=1S/C22H30N4O3/c27-22(6-1-11-28-15-22)14-25-7-9-26(10-8-25)18-4-5-20-19(12-18)21(24-16-23-20)29-13-17-2-3-17/h4-5,12,16-17,27H,1-3,6-11,13-15H2
InChIKeyCSLPSJCBUNLUEG-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.08
Rot. Bonds6

About 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol

3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol (PubChem CID 126896397) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
PubChem CID126896397
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
SMILESOC1(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)CCCOC1
InChIInChI=1S/C22H30N4O3/c27-22(6-1-11-28-15-22)14-25-7-9-26(10-8-25)18-4-5-20-19(12-18)21(24-16-23-20)29-13-17-2-3-17/h4-5,12,16-17,27H,1-3,6-11,13-15H2
InChIKeyCSLPSJCBUNLUEG-UHFFFAOYSA-N
XLogP2.08
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol with MolForge

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Related Compounds

1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
CID 126896399
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 126896267
4-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 126896363
4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896365
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896284
4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896360
4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
CID 126896308
3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
CID 126889548
1-[3-hydroxy-3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]azepan-1-yl]ethanone
CID 126894924
4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 126896407

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol?
The IUPAC name of 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol (CID 126896397) is 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol.
What is the SMILES notation for 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol?
The canonical SMILES for 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol is OC1(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)CCCOC1.
What is the InChIKey of 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol?
The InChIKey is CSLPSJCBUNLUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-22(6-1-11-28-15-22)14-25-7-9-26(10-8-25)18-4-5-20-19(12-18)21(24-16-23-20)29-13-17-2-3-17/h4-5,12,16-17,27H,1-3,6-11,13-15H2.
What are the key properties of 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol?
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol has a molecular weight of 398.51 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol is sourced from PubChem (CID 126896397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).