[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

C20H26N4O — CID 11416481

IUPAC[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N1CCCC1
InChIInChI=1S/C20H26N4O/c1-15-18(20(25)24-9-5-6-10-24)16-7-3-4-8-17(16)21-19(15)23-13-11-22(2)12-14-23/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyOSGKTFURMVRNOJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.53
Rot. Bonds2

About [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 11416481) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID11416481
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N1CCCC1
InChIInChI=1S/C20H26N4O/c1-15-18(20(25)24-9-5-6-10-24)16-7-3-4-8-17(16)21-19(15)23-13-11-22(2)12-14-23/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyOSGKTFURMVRNOJ-UHFFFAOYSA-N
XLogP2.53
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 11416481) is [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N1CCCC1.
What is the InChIKey of [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OSGKTFURMVRNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-18(20(25)24-9-5-6-10-24)16-7-3-4-8-17(16)21-19(15)23-13-11-22(2)12-14-23/h3-4,7-8H,5-6,9-14H2,1-2H3.
What are the key properties of [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.45 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 11416481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).