6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline

C18H24N4O3 — CID 126894883

IUPAC6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(N3CCN(CC4COCCO4)CC3)cc12
InChIInChI=1S/C18H24N4O3/c1-23-18-16-10-14(2-3-17(16)19-13-20-18)22-6-4-21(5-7-22)11-15-12-24-8-9-25-15/h2-3,10,13,15H,4-9,11-12H2,1H3
InChIKeyDOVJDVHEBCQWMX-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.18
Rot. Bonds4

About 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline

6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline (PubChem CID 126894883) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline.

Molecular Properties

Compound Name6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
PubChem CID126894883
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(N3CCN(CC4COCCO4)CC3)cc12
InChIInChI=1S/C18H24N4O3/c1-23-18-16-10-14(2-3-17(16)19-13-20-18)22-6-4-21(5-7-22)11-15-12-24-8-9-25-15/h2-3,10,13,15H,4-9,11-12H2,1H3
InChIKeyDOVJDVHEBCQWMX-UHFFFAOYSA-N
XLogP1.18
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The IUPAC name of 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline (CID 126894883) is 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline.
What is the SMILES notation for 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The canonical SMILES for 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline is COc1ncnc2ccc(N3CCN(CC4COCCO4)CC3)cc12.
What is the InChIKey of 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The InChIKey is DOVJDVHEBCQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-23-18-16-10-14(2-3-17(16)19-13-20-18)22-6-4-21(5-7-22)11-15-12-24-8-9-25-15/h2-3,10,13,15H,4-9,11-12H2,1H3.
What are the key properties of 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline has a molecular weight of 344.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline is sourced from PubChem (CID 126894883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).