3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one

C19H24N4O3 — CID 42907612

IUPAC3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H24N4O3/c24-18(13-23-14-20-17-6-2-1-5-16(17)19(23)25)22-9-7-21(8-10-22)12-15-4-3-11-26-15/h1-2,5-6,14-15H,3-4,7-13H2
InChIKeyOBBBVCWZXQGLRK-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.72
Rot. Bonds4

About 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one

3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one (PubChem CID 42907612) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
PubChem CID42907612
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H24N4O3/c24-18(13-23-14-20-17-6-2-1-5-16(17)19(23)25)22-9-7-21(8-10-22)12-15-4-3-11-26-15/h1-2,5-6,14-15H,3-4,7-13H2
InChIKeyOBBBVCWZXQGLRK-UHFFFAOYSA-N
XLogP0.72
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 70771844
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
3-(1,3-benzoxazol-2-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propan-1-one
CID 9120127
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
3-(cyclopropylmethyl)-7-[4-(oxolan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897874
2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122337048
3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55847594
3-(cyclopropylmethyl)-7-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126897666
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
3-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 8642405

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one (CID 42907612) is 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is OBBBVCWZXQGLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18(13-23-14-20-17-6-2-1-5-16(17)19(23)25)22-9-7-21(8-10-22)12-15-4-3-11-26-15/h1-2,5-6,14-15H,3-4,7-13H2.
What are the key properties of 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one?
3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 356.43 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 42907612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).