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

C21H28N4O2 — CID 126896399

IUPAC1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
SMILESOC1(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)CCC1
InChIInChI=1S/C21H28N4O2/c26-21(6-1-7-21)14-24-8-10-25(11-9-24)17-4-5-19-18(12-17)20(23-15-22-19)27-13-16-2-3-16/h4-5,12,15-16,26H,1-3,6-11,13-14H2
InChIKeyFYFOCMLLMCBJNT-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.46
Rot. Bonds6

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

1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol (PubChem CID 126896399) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
PubChem CID126896399
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
SMILESOC1(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)CCC1
InChIInChI=1S/C21H28N4O2/c26-21(6-1-7-21)14-24-8-10-25(11-9-24)17-4-5-19-18(12-17)20(23-15-22-19)27-13-16-2-3-16/h4-5,12,15-16,26H,1-3,6-11,13-14H2
InChIKeyFYFOCMLLMCBJNT-UHFFFAOYSA-N
XLogP2.46
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
CID 126896397
4-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 126896363
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 126896267
4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896365
cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896284
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
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
1-[3-hydroxy-3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]azepan-1-yl]ethanone
CID 126894924
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 126896407
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126896274
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol (CID 126896399) is 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol is OC1(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)CCC1.
What is the InChIKey of 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol?
The InChIKey is FYFOCMLLMCBJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(6-1-7-21)14-24-8-10-25(11-9-24)17-4-5-19-18(12-17)20(23-15-22-19)27-13-16-2-3-16/h4-5,12,15-16,26H,1-3,6-11,13-14H2.
What are the key properties of 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol?
1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol has a molecular weight of 368.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 126896399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).