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

C19H26N4O3 — CID 126894882

IUPAC6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(N3CCN(CC4COCCOC4)CC3)cc12
InChIInChI=1S/C19H26N4O3/c1-24-19-17-10-16(2-3-18(17)20-14-21-19)23-6-4-22(5-7-23)11-15-12-25-8-9-26-13-15/h2-3,10,14-15H,4-9,11-13H2,1H3
InChIKeySQAOJQIKYNJRKM-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.42
Rot. Bonds4

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

6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline (PubChem CID 126894882) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline.

Molecular Properties

Compound Name6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
PubChem CID126894882
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(N3CCN(CC4COCCOC4)CC3)cc12
InChIInChI=1S/C19H26N4O3/c1-24-19-17-10-16(2-3-18(17)20-14-21-19)23-6-4-22(5-7-23)11-15-12-25-8-9-26-13-15/h2-3,10,14-15H,4-9,11-13H2,1H3
InChIKeySQAOJQIKYNJRKM-UHFFFAOYSA-N
XLogP1.42
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894883
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894751
4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126894690
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The IUPAC name of 6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline (CID 126894882) is 6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline.
What is the SMILES notation for 6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The canonical SMILES for 6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline is COc1ncnc2ccc(N3CCN(CC4COCCOC4)CC3)cc12.
What is the InChIKey of 6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
The InChIKey is SQAOJQIKYNJRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-24-19-17-10-16(2-3-18(17)20-14-21-19)23-6-4-22(5-7-23)11-15-12-25-8-9-26-13-15/h2-3,10,14-15H,4-9,11-13H2,1H3.
What are the key properties of 6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline?
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline has a molecular weight of 358.44 g/mol, XLogP of 1.42, 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-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline is sourced from PubChem (CID 126894882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).