6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione

C13H14ClN3O2 — CID 117262573

IUPAC6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(C2CCCN2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClN3O2/c1-16-10-5-4-8(14)7-9(10)12(18)17(13(16)19)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3
InChIKeyUEKMHQAGLQUYAK-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.24
Rot. Bonds1

About 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione

6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione (PubChem CID 117262573) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
PubChem CID117262573
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(C2CCCN2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClN3O2/c1-16-10-5-4-8(14)7-9(10)12(18)17(13(16)19)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3
InChIKeyUEKMHQAGLQUYAK-UHFFFAOYSA-N
XLogP1.24
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The IUPAC name of 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione (CID 117262573) is 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The canonical SMILES for 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione is Cn1c(=O)n(C2CCCN2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The InChIKey is UEKMHQAGLQUYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-16-10-5-4-8(14)7-9(10)12(18)17(13(16)19)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3.
What are the key properties of 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione has a molecular weight of 279.73 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 117262573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).