7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline

C15H18ClN3 — CID 3524151

IUPAC7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline
SMILESCC1CN(c2ccnc3cc(Cl)ccc23)C(C)CN1
InChIInChI=1S/C15H18ClN3/c1-10-9-19(11(2)8-18-10)15-5-6-17-14-7-12(16)3-4-13(14)15/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyXUTWPKJOWFCPRF-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.07
Rot. Bonds1

About 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline

7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline (PubChem CID 3524151) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline
PubChem CID3524151
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline
SMILESCC1CN(c2ccnc3cc(Cl)ccc23)C(C)CN1
InChIInChI=1S/C15H18ClN3/c1-10-9-19(11(2)8-18-10)15-5-6-17-14-7-12(16)3-4-13(14)15/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyXUTWPKJOWFCPRF-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline?
The IUPAC name of 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline (CID 3524151) is 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline.
What is the SMILES notation for 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline?
The canonical SMILES for 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline is CC1CN(c2ccnc3cc(Cl)ccc23)C(C)CN1.
What is the InChIKey of 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline?
The InChIKey is XUTWPKJOWFCPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-9-19(11(2)8-18-10)15-5-6-17-14-7-12(16)3-4-13(14)15/h3-7,10-11,18H,8-9H2,1-2H3.
What are the key properties of 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline?
7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline has a molecular weight of 275.78 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2,5-dimethylpiperazin-1-yl)quinoline is sourced from PubChem (CID 3524151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).