4,8-dimethoxy-2-piperazin-1-ylquinazoline

C14H18N4O2 — CID 139659464

IUPAC4,8-dimethoxy-2-piperazin-1-ylquinazoline
SMILESCOc1nc(N2CCNCC2)nc2c(OC)cccc12
InChIInChI=1S/C14H18N4O2/c1-19-11-5-3-4-10-12(11)16-14(17-13(10)20-2)18-8-6-15-7-9-18/h3-5,15H,6-9H2,1-2H3
InChIKeyBPFIILMLDWQPIH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds3

About 4,8-dimethoxy-2-piperazin-1-ylquinazoline

4,8-dimethoxy-2-piperazin-1-ylquinazoline (PubChem CID 139659464) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4,8-dimethoxy-2-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name4,8-dimethoxy-2-piperazin-1-ylquinazoline
PubChem CID139659464
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4,8-dimethoxy-2-piperazin-1-ylquinazoline
SMILESCOc1nc(N2CCNCC2)nc2c(OC)cccc12
InChIInChI=1S/C14H18N4O2/c1-19-11-5-3-4-10-12(11)16-14(17-13(10)20-2)18-8-6-15-7-9-18/h3-5,15H,6-9H2,1-2H3
InChIKeyBPFIILMLDWQPIH-UHFFFAOYSA-N
XLogP1.06
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
bis(6,7,8-trimethoxy-2-piperazin-1-ylquinazolin-4-amine);hydrate
CID 70479861
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
6,7,8-trimethoxy-2-piperazin-1-ylquinazoline
CID 22707489
N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 1290462
7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole
CID 84632352
8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline
CID 67504085
3-(8-methoxy-4-oxo-3H-quinazolin-2-yl)propanal
CID 177042597
2-methoxy-6-piperazin-1-ylpyridin-3-amine
CID 62137469
1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine
CID 22640139
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethoxy-2-piperazin-1-ylquinazoline?
The IUPAC name of 4,8-dimethoxy-2-piperazin-1-ylquinazoline (CID 139659464) is 4,8-dimethoxy-2-piperazin-1-ylquinazoline.
What is the SMILES notation for 4,8-dimethoxy-2-piperazin-1-ylquinazoline?
The canonical SMILES for 4,8-dimethoxy-2-piperazin-1-ylquinazoline is COc1nc(N2CCNCC2)nc2c(OC)cccc12.
What is the InChIKey of 4,8-dimethoxy-2-piperazin-1-ylquinazoline?
The InChIKey is BPFIILMLDWQPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-11-5-3-4-10-12(11)16-14(17-13(10)20-2)18-8-6-15-7-9-18/h3-5,15H,6-9H2,1-2H3.
What are the key properties of 4,8-dimethoxy-2-piperazin-1-ylquinazoline?
4,8-dimethoxy-2-piperazin-1-ylquinazoline has a molecular weight of 274.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethoxy-2-piperazin-1-ylquinazoline is sourced from PubChem (CID 139659464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).