1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one

C23H26N4O2 — CID 162644387

IUPAC1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCOc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1
InChIInChI=1S/C23H26N4O2/c1-29-22-17-19(10-12-25-22)26-13-15-27(16-14-26)23(28)9-3-6-18-5-2-8-21-20(18)7-4-11-24-21/h2,4-5,7-8,10-12,17H,3,6,9,13-16H2,1H3
InChIKeyBVLMFBXHZIMJQC-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.31
Rot. Bonds6

About 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one

1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (PubChem CID 162644387) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
PubChem CID162644387
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCOc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1
InChIInChI=1S/C23H26N4O2/c1-29-22-17-19(10-12-25-22)26-13-15-27(16-14-26)23(28)9-3-6-18-5-2-8-21-20(18)7-4-11-24-21/h2,4-5,7-8,10-12,17H,3,6,9,13-16H2,1H3
InChIKeyBVLMFBXHZIMJQC-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one with MolForge

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Related Compounds

1-[(2S)-4-(5-fluoro-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one
CID 162646559
4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 27040696
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 75384862
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023373
2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 136519004
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
1-(4-pyridin-4-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 18456346
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167606300

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The IUPAC name of 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (CID 162644387) is 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The canonical SMILES for 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is COc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1.
What is the InChIKey of 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The InChIKey is BVLMFBXHZIMJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-22-17-19(10-12-25-22)26-13-15-27(16-14-26)23(28)9-3-6-18-5-2-8-21-20(18)7-4-11-24-21/h2,4-5,7-8,10-12,17H,3,6,9,13-16H2,1H3.
What are the key properties of 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one has a molecular weight of 390.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 162644387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).