5,7-dichloro-3-piperidin-1-ylquinazolin-4-one

C13H13Cl2N3O — CID 143696564

IUPAC5,7-dichloro-3-piperidin-1-ylquinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)cc2ncn1N1CCCCC1
InChIInChI=1S/C13H13Cl2N3O/c14-9-6-10(15)12-11(7-9)16-8-18(13(12)19)17-4-2-1-3-5-17/h6-8H,1-5H2
InChIKeyJNOIWPRLNDFACY-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.83
Rot. Bonds1

About 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one

5,7-dichloro-3-piperidin-1-ylquinazolin-4-one (PubChem CID 143696564) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-3-piperidin-1-ylquinazolin-4-one
PubChem CID143696564
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name5,7-dichloro-3-piperidin-1-ylquinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)cc2ncn1N1CCCCC1
InChIInChI=1S/C13H13Cl2N3O/c14-9-6-10(15)12-11(7-9)16-8-18(13(12)19)17-4-2-1-3-5-17/h6-8H,1-5H2
InChIKeyJNOIWPRLNDFACY-UHFFFAOYSA-N
XLogP2.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one?
The IUPAC name of 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one (CID 143696564) is 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one?
The canonical SMILES for 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one is O=c1c2c(Cl)cc(Cl)cc2ncn1N1CCCCC1.
What is the InChIKey of 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one?
The InChIKey is JNOIWPRLNDFACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-9-6-10(15)12-11(7-9)16-8-18(13(12)19)17-4-2-1-3-5-17/h6-8H,1-5H2.
What are the key properties of 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one?
5,7-dichloro-3-piperidin-1-ylquinazolin-4-one has a molecular weight of 298.17 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-piperidin-1-ylquinazolin-4-one is sourced from PubChem (CID 143696564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).