4-(3-chloropiperidin-1-yl)quinazoline

C13H14ClN3 — CID 55184238

IUPAC4-(3-chloropiperidin-1-yl)quinazoline
SMILESClC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C13H14ClN3/c14-10-4-3-7-17(8-10)13-11-5-1-2-6-12(11)15-9-16-13/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyQBELYBQWMMXHNH-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.84
Rot. Bonds1

About 4-(3-chloropiperidin-1-yl)quinazoline

4-(3-chloropiperidin-1-yl)quinazoline (PubChem CID 55184238) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-(3-chloropiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(3-chloropiperidin-1-yl)quinazoline
PubChem CID55184238
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-(3-chloropiperidin-1-yl)quinazoline
SMILESClC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C13H14ClN3/c14-10-4-3-7-17(8-10)13-11-5-1-2-6-12(11)15-9-16-13/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyQBELYBQWMMXHNH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropiperidin-1-yl)quinazoline?
The IUPAC name of 4-(3-chloropiperidin-1-yl)quinazoline (CID 55184238) is 4-(3-chloropiperidin-1-yl)quinazoline.
What is the SMILES notation for 4-(3-chloropiperidin-1-yl)quinazoline?
The canonical SMILES for 4-(3-chloropiperidin-1-yl)quinazoline is ClC1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of 4-(3-chloropiperidin-1-yl)quinazoline?
The InChIKey is QBELYBQWMMXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-10-4-3-7-17(8-10)13-11-5-1-2-6-12(11)15-9-16-13/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 4-(3-chloropiperidin-1-yl)quinazoline?
4-(3-chloropiperidin-1-yl)quinazoline has a molecular weight of 247.73 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropiperidin-1-yl)quinazoline is sourced from PubChem (CID 55184238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).