cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone

C22H26N4O2 — CID 126896284

IUPACcyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1
InChIInChI=1S/C22H26N4O2/c27-22(17-3-1-2-4-17)26-11-9-25(10-12-26)18-7-8-20-19(13-18)21(24-15-23-20)28-14-16-5-6-16/h1-2,7-8,13,15-17H,3-6,9-12,14H2
InChIKeyKHCSXGIEQPOQOJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.03
Rot. Bonds5

About cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone

cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone (PubChem CID 126896284) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
PubChem CID126896284
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Namecyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1
InChIInChI=1S/C22H26N4O2/c27-22(17-3-1-2-4-17)26-11-9-25(10-12-26)18-7-8-20-19(13-18)21(24-15-23-20)28-14-16-5-6-16/h1-2,7-8,13,15-17H,3-6,9-12,14H2
InChIKeyKHCSXGIEQPOQOJ-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 126896267
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126896274
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
CID 126896399
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 126896407
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
4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896360
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
CID 126896308
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
CID 126896397
[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 126895487

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone (CID 126896284) is cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone is O=C(C1CC=CC1)N1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone?
The InChIKey is KHCSXGIEQPOQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-22(17-3-1-2-4-17)26-11-9-25(10-12-26)18-7-8-20-19(13-18)21(24-15-23-20)28-14-16-5-6-16/h1-2,7-8,13,15-17H,3-6,9-12,14H2.
What are the key properties of cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone?
cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 126896284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).