(4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone

C28H28N4O4 — CID 2999017

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone
SMILESCOc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C28H28N4O4/c1-34-24-16-19(17-25(35-2)27(24)36-3)23-18-21(20-8-4-5-9-22(20)30-23)28(33)32-14-12-31(13-15-32)26-10-6-7-11-29-26/h4-11,16-18H,12-15H2,1-3H3
InChIKeyKYEGRIRKYLGVNS-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.28
Rot. Bonds6

About (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone

(4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone (PubChem CID 2999017) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone
PubChem CID2999017
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone
SMILESCOc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C28H28N4O4/c1-34-24-16-19(17-25(35-2)27(24)36-3)23-18-21(20-8-4-5-9-22(20)30-23)28(33)32-14-12-31(13-15-32)26-10-6-7-11-29-26/h4-11,16-18H,12-15H2,1-3H3
InChIKeyKYEGRIRKYLGVNS-UHFFFAOYSA-N
XLogP4.28
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone with MolForge

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Related Compounds

Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide
CID 15987645
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 24822428
2-(4-Ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3238892
3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6621232
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl](phenyl)methanone
CID 14069001
2-(2,5-Dimethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3237504
Piperazine, 1-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-4-benzoyl-
CID 11374836
1-[4-[2-Amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 11488905
3,4,5-triethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 15987878

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone (CID 2999017) is (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone is COc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone?
The InChIKey is KYEGRIRKYLGVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-34-24-16-19(17-25(35-2)27(24)36-3)23-18-21(20-8-4-5-9-22(20)30-23)28(33)32-14-12-31(13-15-32)26-10-6-7-11-29-26/h4-11,16-18H,12-15H2,1-3H3.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone?
(4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone has a molecular weight of 484.56 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 2999017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).