2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride

C26H32ClN3O2 — CID 68860037

IUPAC2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride
SMILESCOc1ccc(-c2cc3ccc(OC)cc3nc2N2CCN(C3CCCC3)CC2)cc1.Cl
InChIInChI=1S/C26H31N3O2.ClH/c1-30-22-10-7-19(8-11-22)24-17-20-9-12-23(31-2)18-25(20)27-26(24)29-15-13-28(14-16-29)21-5-3-4-6-21;/h7-12,17-18,21H,3-6,13-16H2,1-2H3;1H
InChIKeyUVUPOYWKSVXKQB-UHFFFAOYSA-N
MW454.01 g/mol
LogP5.41
Rot. Bonds5

About 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride

2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride (PubChem CID 68860037) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride
PubChem CID68860037
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride
SMILESCOc1ccc(-c2cc3ccc(OC)cc3nc2N2CCN(C3CCCC3)CC2)cc1.Cl
InChIInChI=1S/C26H31N3O2.ClH/c1-30-22-10-7-19(8-11-22)24-17-20-9-12-23(31-2)18-25(20)27-26(24)29-15-13-28(14-16-29)21-5-3-4-6-21;/h7-12,17-18,21H,3-6,13-16H2,1-2H3;1H
InChIKeyUVUPOYWKSVXKQB-UHFFFAOYSA-N
XLogP5.41
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.01
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride (CID 68860037) is 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride is COc1ccc(-c2cc3ccc(OC)cc3nc2N2CCN(C3CCCC3)CC2)cc1.Cl.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride?
The InChIKey is UVUPOYWKSVXKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2.ClH/c1-30-22-10-7-19(8-11-22)24-17-20-9-12-23(31-2)18-25(20)27-26(24)29-15-13-28(14-16-29)21-5-3-4-6-21;/h7-12,17-18,21H,3-6,13-16H2,1-2H3;1H.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride?
2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride has a molecular weight of 454.01 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride is sourced from PubChem (CID 68860037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).