4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline

C18H20N6O — CID 126894723

IUPAC4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
SMILESCOc1ncnc2ccc(N3CCN(c4nccnc4C)CC3)cc12
InChIInChI=1S/C18H20N6O/c1-13-17(20-6-5-19-13)24-9-7-23(8-10-24)14-3-4-16-15(11-14)18(25-2)22-12-21-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBFTIPVZDXWHTSJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.06
Rot. Bonds3

About 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline

4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline (PubChem CID 126894723) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
PubChem CID126894723
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
SMILESCOc1ncnc2ccc(N3CCN(c4nccnc4C)CC3)cc12
InChIInChI=1S/C18H20N6O/c1-13-17(20-6-5-19-13)24-9-7-23(8-10-24)14-3-4-16-15(11-14)18(25-2)22-12-21-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBFTIPVZDXWHTSJ-UHFFFAOYSA-N
XLogP2.06
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894896
4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline
CID 126894707
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 126894591
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
CID 126894874
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126894690
6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894883

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline (CID 126894723) is 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline is COc1ncnc2ccc(N3CCN(c4nccnc4C)CC3)cc12.
What is the InChIKey of 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline?
The InChIKey is BFTIPVZDXWHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-17(20-6-5-19-13)24-9-7-23(8-10-24)14-3-4-16-15(11-14)18(25-2)22-12-21-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline?
4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline has a molecular weight of 336.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).