2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C23H30N4O4 — CID 666079

IUPAC2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN1CCN(c2ncc3c(n2)CC(c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1
InChIInChI=1S/C23H30N4O4/c1-5-26-6-8-27(9-7-26)23-24-14-17-18(25-23)10-15(11-19(17)28)16-12-20(29-2)22(31-4)21(13-16)30-3/h12-15H,5-11H2,1-4H3
InChIKeyLFCXGNKMUFQVTH-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.56
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 666079) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID666079
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN1CCN(c2ncc3c(n2)CC(c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1
InChIInChI=1S/C23H30N4O4/c1-5-26-6-8-27(9-7-26)23-24-14-17-18(25-23)10-15(11-19(17)28)16-12-20(29-2)22(31-4)21(13-16)30-3/h12-15H,5-11H2,1-4H3
InChIKeyLFCXGNKMUFQVTH-UHFFFAOYSA-N
XLogP2.56
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 666079) is 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is CCN1CCN(c2ncc3c(n2)CC(c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LFCXGNKMUFQVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-5-26-6-8-27(9-7-26)23-24-14-17-18(25-23)10-15(11-19(17)28)16-12-20(29-2)22(31-4)21(13-16)30-3/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 426.52 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 666079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).