cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone

C20H23N3O — CID 11349921

IUPACcyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone
SMILESO=C(c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1)C1CC1
InChIInChI=1S/C20H23N3O/c24-20(14-1-2-14)16-3-7-18-15(13-16)4-8-19(21-18)23-11-9-22(10-12-23)17-5-6-17/h3-4,7-8,13-14,17H,1-2,5-6,9-12H2
InChIKeyREZSROOERNUDJU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.11
Rot. Bonds4

About cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone

cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone (PubChem CID 11349921) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone
PubChem CID11349921
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Namecyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone
SMILESO=C(c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1)C1CC1
InChIInChI=1S/C20H23N3O/c24-20(14-1-2-14)16-3-7-18-15(13-16)4-8-19(21-18)23-11-9-22(10-12-23)17-5-6-17/h3-4,7-8,13-14,17H,1-2,5-6,9-12H2
InChIKeyREZSROOERNUDJU-UHFFFAOYSA-N
XLogP3.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone?
The IUPAC name of cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone (CID 11349921) is cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone is O=C(c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1)C1CC1.
What is the InChIKey of cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone?
The InChIKey is REZSROOERNUDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(14-1-2-14)16-3-7-18-15(13-16)4-8-19(21-18)23-11-9-22(10-12-23)17-5-6-17/h3-4,7-8,13-14,17H,1-2,5-6,9-12H2.
What are the key properties of cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone?
cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(4-cyclopropylpiperazin-1-yl)quinolin-6-yl]methanone is sourced from PubChem (CID 11349921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).