3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one

C17H24N4O3 — CID 126898641

IUPAC3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCN1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C17H24N4O3/c1-24-11-9-19-4-6-20(7-5-19)14-2-3-15-16(12-14)18-13-21(8-10-22)17(15)23/h2-3,12-13,22H,4-11H2,1H3
InChIKeyKKIFVWCPDIYUJE-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.16
Rot. Bonds6

About 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one

3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126898641) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
PubChem CID126898641
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCN1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C17H24N4O3/c1-24-11-9-19-4-6-20(7-5-19)14-2-3-15-16(12-14)18-13-21(8-10-22)17(15)23/h2-3,12-13,22H,4-11H2,1H3
InChIKeyKKIFVWCPDIYUJE-UHFFFAOYSA-N
XLogP0.16
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one (CID 126898641) is 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one is COCCN1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1.
What is the InChIKey of 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is KKIFVWCPDIYUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-24-11-9-19-4-6-20(7-5-19)14-2-3-15-16(12-14)18-13-21(8-10-22)17(15)23/h2-3,12-13,22H,4-11H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one?
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 332.40 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).