6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride

C16H21Cl2N3 — CID 68859336

IUPAC6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride
SMILESCC(C)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1.Cl
InChIInChI=1S/C16H20ClN3.ClH/c1-12(2)19-7-9-20(10-8-19)16-6-3-13-11-14(17)4-5-15(13)18-16;/h3-6,11-12H,7-10H2,1-2H3;1H
InChIKeyYYVQLXRBKCCWRO-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.84
Rot. Bonds2

About 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride

6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride (PubChem CID 68859336) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride
PubChem CID68859336
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride
SMILESCC(C)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1.Cl
InChIInChI=1S/C16H20ClN3.ClH/c1-12(2)19-7-9-20(10-8-19)16-6-3-13-11-14(17)4-5-15(13)18-16;/h3-6,11-12H,7-10H2,1-2H3;1H
InChIKeyYYVQLXRBKCCWRO-UHFFFAOYSA-N
XLogP3.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride?
The IUPAC name of 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride (CID 68859336) is 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride.
What is the SMILES notation for 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride?
The canonical SMILES for 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride is CC(C)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1.Cl.
What is the InChIKey of 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride?
The InChIKey is YYVQLXRBKCCWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3.ClH/c1-12(2)19-7-9-20(10-8-19)16-6-3-13-11-14(17)4-5-15(13)18-16;/h3-6,11-12H,7-10H2,1-2H3;1H.
What are the key properties of 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride?
6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride has a molecular weight of 326.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride is sourced from PubChem (CID 68859336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).