(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone

C23H23N3O2 — CID 89311572

IUPAC(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone
SMILESC=C(c1ccc2ncccc2c1)N1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H23N3O2/c1-17(19-7-10-22-20(16-19)4-3-11-24-22)25-12-14-26(15-13-25)23(27)18-5-8-21(28-2)9-6-18/h3-11,16H,1,12-15H2,2H3
InChIKeyPRPZWNFCJROHLT-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.67
Rot. Bonds4

About (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone (PubChem CID 89311572) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone
PubChem CID89311572
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone
SMILESC=C(c1ccc2ncccc2c1)N1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H23N3O2/c1-17(19-7-10-22-20(16-19)4-3-11-24-22)25-12-14-26(15-13-25)23(27)18-5-8-21(28-2)9-6-18/h3-11,16H,1,12-15H2,2H3
InChIKeyPRPZWNFCJROHLT-UHFFFAOYSA-N
XLogP3.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
ethene;6-methoxyquinoline
CID 174599262
N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide
CID 25115005
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840
ethane;quinoline-6-carboxylic acid
CID 91364452
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone (CID 89311572) is (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone is C=C(c1ccc2ncccc2c1)N1CCN(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone?
The InChIKey is PRPZWNFCJROHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17(19-7-10-22-20(16-19)4-3-11-24-22)25-12-14-26(15-13-25)23(27)18-5-8-21(28-2)9-6-18/h3-11,16H,1,12-15H2,2H3.
What are the key properties of (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 89311572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).