4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

C14H22N4O — CID 12933906

IUPAC4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCCOc1nc(N2CCNCC2)nc2c1CCCC2
InChIInChI=1S/C14H22N4O/c1-2-19-13-11-5-3-4-6-12(11)16-14(17-13)18-9-7-15-8-10-18/h15H,2-10H2,1H3
InChIKeyKVMHRKFACDGCKF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.16
Rot. Bonds3

About 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 12933906) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID12933906
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCCOc1nc(N2CCNCC2)nc2c1CCCC2
InChIInChI=1S/C14H22N4O/c1-2-19-13-11-5-3-4-6-12(11)16-14(17-13)18-9-7-15-8-10-18/h15H,2-10H2,1H3
InChIKeyKVMHRKFACDGCKF-UHFFFAOYSA-N
XLogP1.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline (CID 12933906) is 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline is CCOc1nc(N2CCNCC2)nc2c1CCCC2.
What is the InChIKey of 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is KVMHRKFACDGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-19-13-11-5-3-4-6-12(11)16-14(17-13)18-9-7-15-8-10-18/h15H,2-10H2,1H3.
What are the key properties of 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 262.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 12933906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).