[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone

C22H24N6O2 — CID 126896274

IUPAC[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)cn1
InChIInChI=1S/C22H24N6O2/c1-15-11-24-20(12-23-15)22(29)28-8-6-27(7-9-28)17-4-5-19-18(10-17)21(26-14-25-19)30-13-16-2-3-16/h4-5,10-12,14,16H,2-3,6-9,13H2,1H3
InChIKeyZMLNXSSBXOKHPC-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.48
Rot. Bonds5

About [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 126896274) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID126896274
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)cn1
InChIInChI=1S/C22H24N6O2/c1-15-11-24-20(12-23-15)22(29)28-8-6-27(7-9-28)17-4-5-19-18(10-17)21(26-14-25-19)30-13-16-2-3-16/h4-5,10-12,14,16H,2-3,6-9,13H2,1H3
InChIKeyZMLNXSSBXOKHPC-UHFFFAOYSA-N
XLogP2.48
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896284
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 126896267
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 126894591
4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896365
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 126896407
[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 126895487
1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
CID 126896399
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440
(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894588
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 126896274) is [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)cn1.
What is the InChIKey of [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is ZMLNXSSBXOKHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15-11-24-20(12-23-15)22(29)28-8-6-27(7-9-28)17-4-5-19-18(10-17)21(26-14-25-19)30-13-16-2-3-16/h4-5,10-12,14,16H,2-3,6-9,13H2,1H3.
What are the key properties of [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 404.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 126896274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).