3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione

C17H23N3O2 — CID 95276091

IUPAC3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
SMILESCC1CCN([C@@H](C)Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C17H23N3O2/c1-12-7-9-19(10-8-12)13(2)11-20-16(21)14-5-3-4-6-15(14)18-17(20)22/h3-6,12-13H,7-11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyOVBADLSOSXNALW-ZDUSSCGKSA-N
MW301.39 g/mol
LogP1.81
Rot. Bonds3

About 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione

3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione (PubChem CID 95276091) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
PubChem CID95276091
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
SMILESCC1CCN([C@@H](C)Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C17H23N3O2/c1-12-7-9-19(10-8-12)13(2)11-20-16(21)14-5-3-4-6-15(14)18-17(20)22/h3-6,12-13H,7-11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyOVBADLSOSXNALW-ZDUSSCGKSA-N
XLogP1.81
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione (CID 95276091) is 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione is CC1CCN([C@@H](C)Cn2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione?
The InChIKey is OVBADLSOSXNALW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-7-9-19(10-8-12)13(2)11-20-16(21)14-5-3-4-6-15(14)18-17(20)22/h3-6,12-13H,7-11H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione?
3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione has a molecular weight of 301.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 95276091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).