1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione

C17H23N3O2 — CID 22923441

IUPAC1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione
SMILESCCCc1ccc2c(c1)c(=O)n(C1CCNCC1)c(=O)n2C
InChIInChI=1S/C17H23N3O2/c1-3-4-12-5-6-15-14(11-12)16(21)20(17(22)19(15)2)13-7-9-18-10-8-13/h5-6,11,13,18H,3-4,7-10H2,1-2H3
InChIKeyYCLBYXIQFQNRMN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.58
Rot. Bonds3

About 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione

1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione (PubChem CID 22923441) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione
PubChem CID22923441
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione
SMILESCCCc1ccc2c(c1)c(=O)n(C1CCNCC1)c(=O)n2C
InChIInChI=1S/C17H23N3O2/c1-3-4-12-5-6-15-14(11-12)16(21)20(17(22)19(15)2)13-7-9-18-10-8-13/h5-6,11,13,18H,3-4,7-10H2,1-2H3
InChIKeyYCLBYXIQFQNRMN-UHFFFAOYSA-N
XLogP1.58
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione?
The IUPAC name of 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione (CID 22923441) is 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione.
What is the SMILES notation for 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione?
The canonical SMILES for 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione is CCCc1ccc2c(c1)c(=O)n(C1CCNCC1)c(=O)n2C.
What is the InChIKey of 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione?
The InChIKey is YCLBYXIQFQNRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-4-12-5-6-15-14(11-12)16(21)20(17(22)19(15)2)13-7-9-18-10-8-13/h5-6,11,13,18H,3-4,7-10H2,1-2H3.
What are the key properties of 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione?
1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione has a molecular weight of 301.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione is sourced from PubChem (CID 22923441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).