4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline

C15H18ClN3 — CID 63389905

IUPAC4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
SMILESClCCC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C15H18ClN3/c16-8-7-12-4-3-9-19(10-12)15-13-5-1-2-6-14(13)17-11-18-15/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyFXGICBFNZQTYCH-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.48
Rot. Bonds3

About 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline

4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline (PubChem CID 63389905) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
PubChem CID63389905
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
SMILESClCCC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C15H18ClN3/c16-8-7-12-4-3-9-19(10-12)15-13-5-1-2-6-14(13)17-11-18-15/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyFXGICBFNZQTYCH-UHFFFAOYSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.48
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-(2-chloroethyl)piperidin-1-yl]quinazoline?
The IUPAC name of 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline (CID 63389905) is 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline is ClCCC1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline?
The InChIKey is FXGICBFNZQTYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-8-7-12-4-3-9-19(10-12)15-13-5-1-2-6-14(13)17-11-18-15/h1-2,5-6,11-12H,3-4,7-10H2.
What are the key properties of 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline?
4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline has a molecular weight of 275.78 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 63389905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).