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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Related Compounds

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CID 125494568
5-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 59355040
4,5,7-trichloroquinoline
CID 615835
4-(aminomethyl)-6-chloro-2-piperidin-1-ylisoquinolin-1-one
CID 175825690
6-chloro-3-methylbenzimidazole-4-carbaldehyde
CID 83879166
4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid
CID 114606418
1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 58574491
7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-1-ylquinazolin-4-one
CID 168756185
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
6-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 71037622
3-amino-7-chloroquinazolin-4-one
CID 82275274
1-(1,4-diazepan-1-yl)benzimidazole
CID 57095230

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).