2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one

C13H14ClN3O — CID 117263619

IUPAC2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one
SMILESCc1cccc2nc(Cl)n(C3CCCN3)c(=O)c12
InChIInChI=1S/C13H14ClN3O/c1-8-4-2-5-9-11(8)12(18)17(13(14)16-9)10-6-3-7-15-10/h2,4-5,10,15H,3,6-7H2,1H3
InChIKeyFOKMWURZFOLLQH-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one

2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one (PubChem CID 117263619) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one
PubChem CID117263619
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one
SMILESCc1cccc2nc(Cl)n(C3CCCN3)c(=O)c12
InChIInChI=1S/C13H14ClN3O/c1-8-4-2-5-9-11(8)12(18)17(13(14)16-9)10-6-3-7-15-10/h2,4-5,10,15H,3,6-7H2,1H3
InChIKeyFOKMWURZFOLLQH-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one?
The IUPAC name of 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one (CID 117263619) is 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one.
What is the SMILES notation for 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one?
The canonical SMILES for 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one is Cc1cccc2nc(Cl)n(C3CCCN3)c(=O)c12.
What is the InChIKey of 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one?
The InChIKey is FOKMWURZFOLLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-4-2-5-9-11(8)12(18)17(13(14)16-9)10-6-3-7-15-10/h2,4-5,10,15H,3,6-7H2,1H3.
What are the key properties of 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one?
2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one has a molecular weight of 263.73 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one is sourced from PubChem (CID 117263619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).