4-chloro-2-piperidin-1-ylquinazoline

C13H14ClN3 — CID 15692068

IUPAC4-chloro-2-piperidin-1-ylquinazoline
SMILESClc1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C13H14ClN3/c14-12-10-6-2-3-7-11(10)15-13(16-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2
InChIKeyZXHLTIZFIITQHD-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.27
Rot. Bonds1

About 4-chloro-2-piperidin-1-ylquinazoline

4-chloro-2-piperidin-1-ylquinazoline (PubChem CID 15692068) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-2-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name4-chloro-2-piperidin-1-ylquinazoline
PubChem CID15692068
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-2-piperidin-1-ylquinazoline
SMILESClc1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C13H14ClN3/c14-12-10-6-2-3-7-11(10)15-13(16-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2
InChIKeyZXHLTIZFIITQHD-UHFFFAOYSA-N
XLogP3.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-piperidin-1-ylquinazoline?
The IUPAC name of 4-chloro-2-piperidin-1-ylquinazoline (CID 15692068) is 4-chloro-2-piperidin-1-ylquinazoline.
What is the SMILES notation for 4-chloro-2-piperidin-1-ylquinazoline?
The canonical SMILES for 4-chloro-2-piperidin-1-ylquinazoline is Clc1nc(N2CCCCC2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-piperidin-1-ylquinazoline?
The InChIKey is ZXHLTIZFIITQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-12-10-6-2-3-7-11(10)15-13(16-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 4-chloro-2-piperidin-1-ylquinazoline?
4-chloro-2-piperidin-1-ylquinazoline has a molecular weight of 247.73 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-piperidin-1-ylquinazoline is sourced from PubChem (CID 15692068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).