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

C15H18ClN3 — CID 106838537

IUPAC4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
SMILESCC(Cl)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C15H18ClN3/c1-11(16)12-6-8-19(9-7-12)15-13-4-2-3-5-14(13)17-10-18-15/h2-5,10-12H,6-9H2,1H3
InChIKeyYISAGIJSHXARRB-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.47
Rot. Bonds2

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

4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline (PubChem CID 106838537) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
PubChem CID106838537
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
SMILESCC(Cl)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C15H18ClN3/c1-11(16)12-6-8-19(9-7-12)15-13-4-2-3-5-14(13)17-10-18-15/h2-5,10-12H,6-9H2,1H3
InChIKeyYISAGIJSHXARRB-UHFFFAOYSA-N
XLogP3.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
4-(azepan-1-yl)quinazoline
CID 5207391
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine
CID 141430975
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
CID 63854555
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
CID 114800924
4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
CID 103505104
(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine
CID 95580716
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline?
The IUPAC name of 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline (CID 106838537) is 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline is CC(Cl)C1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline?
The InChIKey is YISAGIJSHXARRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(16)12-6-8-19(9-7-12)15-13-4-2-3-5-14(13)17-10-18-15/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline?
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline has a molecular weight of 275.78 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 106838537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).