4-(3-chloro-4-methylpiperidin-1-yl)quinazoline

C14H16ClN3 — CID 102960852

IUPAC4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
SMILESCC1CCN(c2ncnc3ccccc23)CC1Cl
InChIInChI=1S/C14H16ClN3/c1-10-6-7-18(8-12(10)15)14-11-4-2-3-5-13(11)16-9-17-14/h2-5,9-10,12H,6-8H2,1H3
InChIKeyGZSKGPLXEMVWST-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.08
Rot. Bonds1

About 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline

4-(3-chloro-4-methylpiperidin-1-yl)quinazoline (PubChem CID 102960852) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
PubChem CID102960852
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
SMILESCC1CCN(c2ncnc3ccccc23)CC1Cl
InChIInChI=1S/C14H16ClN3/c1-10-6-7-18(8-12(10)15)14-11-4-2-3-5-13(11)16-9-17-14/h2-5,9-10,12H,6-8H2,1H3
InChIKeyGZSKGPLXEMVWST-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.08
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-chloro-4-methylpiperidin-1-yl)quinazoline?
The IUPAC name of 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline (CID 102960852) is 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline?
The canonical SMILES for 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline is CC1CCN(c2ncnc3ccccc23)CC1Cl.
What is the InChIKey of 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline?
The InChIKey is GZSKGPLXEMVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-6-7-18(8-12(10)15)14-11-4-2-3-5-13(11)16-9-17-14/h2-5,9-10,12H,6-8H2,1H3.
What are the key properties of 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline?
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline has a molecular weight of 261.76 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 102960852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).