4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one

C23H25N3O3 — CID 22549537

IUPAC4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
SMILESCCN1CCN(C(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1
InChIInChI=1S/C23H25N3O3/c1-3-24-12-14-25(15-13-24)22(27)21-16-26(17-8-10-18(29-2)11-9-17)23(28)20-7-5-4-6-19(20)21/h4-11,16H,3,12-15H2,1-2H3
InChIKeyJOXNCNNNWPOQOV-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.78
Rot. Bonds4

About 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one

4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one (PubChem CID 22549537) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
PubChem CID22549537
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
SMILESCCN1CCN(C(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1
InChIInChI=1S/C23H25N3O3/c1-3-24-12-14-25(15-13-24)22(27)21-16-26(17-8-10-18(29-2)11-9-17)23(28)20-7-5-4-6-19(20)21/h4-11,16H,3,12-15H2,1-2H3
InChIKeyJOXNCNNNWPOQOV-UHFFFAOYSA-N
XLogP2.78
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
CID 14891733
N-butan-2-yl-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4653931
2-ethoxyethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092714
2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one
CID 22549757
2-(4-chlorophenyl)-4-(4-methylpiperidine-1-carbonyl)isoquinolin-1-one
CID 4142158
N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549573
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(pyrrolidine-1-carbonyl)isoquinolin-1-one
CID 4695030
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 35330467
N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22549553
pyridin-2-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391480
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)isoquinolin-1-one
CID 3287682

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one (CID 22549537) is 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one is CCN1CCN(C(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one?
The InChIKey is JOXNCNNNWPOQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-24-12-14-25(15-13-24)22(27)21-16-26(17-8-10-18(29-2)11-9-17)23(28)20-7-5-4-6-19(20)21/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one?
4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one has a molecular weight of 391.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one is sourced from PubChem (CID 22549537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).