3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione

C19H23FN4O2 — CID 10286914

IUPAC3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cc(F)ccc3C2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C19H23FN4O2/c20-15-5-4-14-11-23(12-21-16(14)10-15)17-6-7-18(25)24(19(17)26)13-22-8-2-1-3-9-22/h4-5,10,12,17H,1-3,6-9,11,13H2
InChIKeyCYBZKHYIGYEMID-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.26
Rot. Bonds3

About 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione

3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione (PubChem CID 10286914) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione
PubChem CID10286914
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cc(F)ccc3C2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C19H23FN4O2/c20-15-5-4-14-11-23(12-21-16(14)10-15)17-6-7-18(25)24(19(17)26)13-22-8-2-1-3-9-22/h4-5,10,12,17H,1-3,6-9,11,13H2
InChIKeyCYBZKHYIGYEMID-UHFFFAOYSA-N
XLogP2.26
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione?
The IUPAC name of 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione (CID 10286914) is 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione is O=C1CCC(N2C=Nc3cc(F)ccc3C2)C(=O)N1CN1CCCCC1.
What is the InChIKey of 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione?
The InChIKey is CYBZKHYIGYEMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-15-5-4-14-11-23(12-21-16(14)10-15)17-6-7-18(25)24(19(17)26)13-22-8-2-1-3-9-22/h4-5,10,12,17H,1-3,6-9,11,13H2.
What are the key properties of 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione?
3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione has a molecular weight of 358.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione is sourced from PubChem (CID 10286914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).