2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one

C26H24N4O3 — CID 22549757

IUPAC2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one
SMILESCOc1cccc(-n2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3c2=O)c1
InChIInChI=1S/C26H24N4O3/c1-33-20-8-6-7-19(17-20)30-18-23(21-9-2-3-10-22(21)26(30)32)25(31)29-15-13-28(14-16-29)24-11-4-5-12-27-24/h2-12,17-18H,13-16H2,1H3
InChIKeyTZWSAZFYEBFZGB-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.36
Rot. Bonds4

About 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one

2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one (PubChem CID 22549757) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one
PubChem CID22549757
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one
SMILESCOc1cccc(-n2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3c2=O)c1
InChIInChI=1S/C26H24N4O3/c1-33-20-8-6-7-19(17-20)30-18-23(21-9-2-3-10-22(21)26(30)32)25(31)29-15-13-28(14-16-29)24-11-4-5-12-27-24/h2-12,17-18H,13-16H2,1H3
InChIKeyTZWSAZFYEBFZGB-UHFFFAOYSA-N
XLogP3.36
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113212751
4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
CID 22549537
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
CID 14891733
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
(4-phenylpiperazin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174293
2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
CID 22549822
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109353170
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one?
The IUPAC name of 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one (CID 22549757) is 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one?
The canonical SMILES for 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one is COc1cccc(-n2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one?
The InChIKey is TZWSAZFYEBFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-33-20-8-6-7-19(17-20)30-18-23(21-9-2-3-10-22(21)26(30)32)25(31)29-15-13-28(14-16-29)24-11-4-5-12-27-24/h2-12,17-18H,13-16H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one?
2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one has a molecular weight of 440.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one is sourced from PubChem (CID 22549757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).