1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one

C23H26N4O2 — CID 109029505

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCNc2cccc3cccnc23)CC1
InChIInChI=1S/C23H26N4O2/c1-29-21-10-3-2-9-20(21)26-14-16-27(17-15-26)22(28)11-13-24-19-8-4-6-18-7-5-12-25-23(18)19/h2-10,12,24H,11,13-17H2,1H3
InChIKeyZLKMVJKZKSWWDO-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.39
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one (PubChem CID 109029505) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one
PubChem CID109029505
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCNc2cccc3cccnc23)CC1
InChIInChI=1S/C23H26N4O2/c1-29-21-10-3-2-9-20(21)26-14-16-27(17-15-26)22(28)11-13-24-19-8-4-6-18-7-5-12-25-23(18)19/h2-10,12,24H,11,13-17H2,1H3
InChIKeyZLKMVJKZKSWWDO-UHFFFAOYSA-N
XLogP3.39
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029463
3-(2,6-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029461
3-(2-methoxy-5-methylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 47877476
3-(3-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029494
4-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
CID 109029510
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109029490
3-(benzylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018947
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylbutylamino)propan-1-one
CID 109029444
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylamino)propan-1-one
CID 109015536
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158170125

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one (CID 109029505) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one is COc1ccccc1N1CCN(C(=O)CCNc2cccc3cccnc23)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one?
The InChIKey is ZLKMVJKZKSWWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-21-10-3-2-9-20(21)26-14-16-27(17-15-26)22(28)11-13-24-19-8-4-6-18-7-5-12-25-23(18)19/h2-10,12,24H,11,13-17H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one has a molecular weight of 390.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one is sourced from PubChem (CID 109029505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).