6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline

C19H25ClN4 — CID 91938161

IUPAC6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline
SMILESCN1CCN(c2cc(N3CCCCC3)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H25ClN4/c1-22-9-11-23(12-10-22)18-14-19(24-7-3-2-4-8-24)21-17-6-5-15(20)13-16(17)18/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyHCXKIARKAXZAEG-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.63
Rot. Bonds2

About 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline

6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline (PubChem CID 91938161) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline.

Molecular Properties

Compound Name6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline
PubChem CID91938161
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC Name6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline
SMILESCN1CCN(c2cc(N3CCCCC3)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H25ClN4/c1-22-9-11-23(12-10-22)18-14-19(24-7-3-2-4-8-24)21-17-6-5-15(20)13-16(17)18/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyHCXKIARKAXZAEG-UHFFFAOYSA-N
XLogP3.63
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline?
The IUPAC name of 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline (CID 91938161) is 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline.
What is the SMILES notation for 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline?
The canonical SMILES for 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline is CN1CCN(c2cc(N3CCCCC3)nc3ccc(Cl)cc23)CC1.
What is the InChIKey of 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline?
The InChIKey is HCXKIARKAXZAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4/c1-22-9-11-23(12-10-22)18-14-19(24-7-3-2-4-8-24)21-17-6-5-15(20)13-16(17)18/h5-6,13-14H,2-4,7-12H2,1H3.
What are the key properties of 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline?
6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline has a molecular weight of 344.89 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline is sourced from PubChem (CID 91938161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).