6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline

C16H20N8O2 — CID 11068254

IUPAC6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline
SMILESCOc1cc2c(N3CCNCC3)ncnc2cc1OCCn1cnnn1
InChIInChI=1S/C16H20N8O2/c1-25-14-8-12-13(9-15(14)26-7-6-24-11-20-21-22-24)18-10-19-16(12)23-4-2-17-3-5-23/h8-11,17H,2-7H2,1H3
InChIKeyYNQZVBWTXJBYJC-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.11
Rot. Bonds6

About 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline

6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline (PubChem CID 11068254) has the molecular formula C16H20N8O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline.

Molecular Properties

Compound Name6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline
PubChem CID11068254
Molecular FormulaC16H20N8O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline
SMILESCOc1cc2c(N3CCNCC3)ncnc2cc1OCCn1cnnn1
InChIInChI=1S/C16H20N8O2/c1-25-14-8-12-13(9-15(14)26-7-6-24-11-20-21-22-24)18-10-19-16(12)23-4-2-17-3-5-23/h8-11,17H,2-7H2,1H3
InChIKeyYNQZVBWTXJBYJC-UHFFFAOYSA-N
XLogP0.11
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
CID 10992646
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile
CID 91313177
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
4-[6-methoxy-7-(3-piperidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 68636592
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione
CID 14738824

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline?
The IUPAC name of 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline (CID 11068254) is 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline.
What is the SMILES notation for 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline?
The canonical SMILES for 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline is COc1cc2c(N3CCNCC3)ncnc2cc1OCCn1cnnn1.
What is the InChIKey of 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline?
The InChIKey is YNQZVBWTXJBYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2/c1-25-14-8-12-13(9-15(14)26-7-6-24-11-20-21-22-24)18-10-19-16(12)23-4-2-17-3-5-23/h8-11,17H,2-7H2,1H3.
What are the key properties of 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline?
6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline has a molecular weight of 356.39 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline is sourced from PubChem (CID 11068254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).