6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline

C20H22N6O — CID 126894896

IUPAC6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(N3CCN(c4nccnc4C4CC4)CC3)cc12
InChIInChI=1S/C20H22N6O/c1-27-20-16-12-15(4-5-17(16)23-13-24-20)25-8-10-26(11-9-25)19-18(14-2-3-14)21-6-7-22-19/h4-7,12-14H,2-3,8-11H2,1H3
InChIKeyNHUAPCDFCOXDHA-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.63
Rot. Bonds4

About 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline

6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline (PubChem CID 126894896) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline.

Molecular Properties

Compound Name6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline
PubChem CID126894896
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(N3CCN(c4nccnc4C4CC4)CC3)cc12
InChIInChI=1S/C20H22N6O/c1-27-20-16-12-15(4-5-17(16)23-13-24-20)25-8-10-26(11-9-25)19-18(14-2-3-14)21-6-7-22-19/h4-7,12-14H,2-3,8-11H2,1H3
InChIKeyNHUAPCDFCOXDHA-UHFFFAOYSA-N
XLogP2.63
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline
CID 126894707
3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 126894905
3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
CID 126894874
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
[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-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline?
The IUPAC name of 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline (CID 126894896) is 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline.
What is the SMILES notation for 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline?
The canonical SMILES for 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline is COc1ncnc2ccc(N3CCN(c4nccnc4C4CC4)CC3)cc12.
What is the InChIKey of 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline?
The InChIKey is NHUAPCDFCOXDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-27-20-16-12-15(4-5-17(16)23-13-24-20)25-8-10-26(11-9-25)19-18(14-2-3-14)21-6-7-22-19/h4-7,12-14H,2-3,8-11H2,1H3.
What are the key properties of 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline?
6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline has a molecular weight of 362.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline is sourced from PubChem (CID 126894896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).