[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone

C18H18N6O2 — CID 126894591

IUPAC[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1ncnc2ccc(N3CCN(C(=O)c4cnccn4)CC3)cc12
InChIInChI=1S/C18H18N6O2/c1-26-17-14-10-13(2-3-15(14)21-12-22-17)23-6-8-24(9-7-23)18(25)16-11-19-4-5-20-16/h2-5,10-12H,6-9H2,1H3
InChIKeyQFRYPKSPVSTCPP-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.39
Rot. Bonds3

About [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone

[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 126894591) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID126894591
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1ncnc2ccc(N3CCN(C(=O)c4cnccn4)CC3)cc12
InChIInChI=1S/C18H18N6O2/c1-26-17-14-10-13(2-3-15(14)21-12-22-17)23-6-8-24(9-7-23)18(25)16-11-19-4-5-20-16/h2-5,10-12H,6-9H2,1H3
InChIKeyQFRYPKSPVSTCPP-UHFFFAOYSA-N
XLogP1.39
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.39
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
(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894588
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126896274
4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
(4-methoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-pyrazin-2-ylmethanone
CID 97381400
[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 126895487
5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662219
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
CID 126894874

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (CID 126894591) is [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is COc1ncnc2ccc(N3CCN(C(=O)c4cnccn4)CC3)cc12.
What is the InChIKey of [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is QFRYPKSPVSTCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-26-17-14-10-13(2-3-15(14)21-12-22-17)23-6-8-24(9-7-23)18(25)16-11-19-4-5-20-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 350.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 126894591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).