3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione

C14H11N3O2 — CID 107103947

IUPAC3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1Cc1ccnc2ccccc12
InChIInChI=1S/C14H11N3O2/c18-13-6-8-16-14(19)17(13)9-10-5-7-15-12-4-2-1-3-11(10)12/h1-8H,9H2,(H,16,19)
InChIKeyZPRYMWLWEMFKFN-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.13
Rot. Bonds2

About 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione

3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 107103947) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID107103947
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1Cc1ccnc2ccccc12
InChIInChI=1S/C14H11N3O2/c18-13-6-8-16-14(19)17(13)9-10-5-7-15-12-4-2-1-3-11(10)12/h1-8H,9H2,(H,16,19)
InChIKeyZPRYMWLWEMFKFN-UHFFFAOYSA-N
XLogP1.13
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione (CID 107103947) is 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1Cc1ccnc2ccccc12.
What is the InChIKey of 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZPRYMWLWEMFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13-6-8-16-14(19)17(13)9-10-5-7-15-12-4-2-1-3-11(10)12/h1-8H,9H2,(H,16,19).
What are the key properties of 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107103947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).