2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C22H28N4O3 — CID 136553678

IUPAC2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1cc(C(=O)N2CCN(C(C)C(=O)N3CCCC3)CC2)c2ccccc2n1
InChIInChI=1S/C22H28N4O3/c1-16(21(27)25-9-5-6-10-25)24-11-13-26(14-12-24)22(28)18-15-20(29-2)23-19-8-4-3-7-17(18)19/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3
InChIKeyMSQWTPKFRXLZPE-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 136553678) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID136553678
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1cc(C(=O)N2CCN(C(C)C(=O)N3CCCC3)CC2)c2ccccc2n1
InChIInChI=1S/C22H28N4O3/c1-16(21(27)25-9-5-6-10-25)24-11-13-26(14-12-24)22(28)18-15-20(29-2)23-19-8-4-3-7-17(18)19/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3
InChIKeyMSQWTPKFRXLZPE-UHFFFAOYSA-N
XLogP2.01
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672
(2,2-dimethyl-1,4-oxazepan-4-yl)-(2-methoxyquinolin-4-yl)methanone
CID 138034545
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 119068199
2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890886
(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553897
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 50973940
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 136553678) is 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is COc1cc(C(=O)N2CCN(C(C)C(=O)N3CCCC3)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MSQWTPKFRXLZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16(21(27)25-9-5-6-10-25)24-11-13-26(14-12-24)22(28)18-15-20(29-2)23-19-8-4-3-7-17(18)19/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 396.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 136553678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).