2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide

C24H22ClN5O4 — CID 156906545

IUPAC2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide
SMILESCN1C(=O)CCN(CC(=O)NC(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1=O
InChIInChI=1S/C24H22ClN5O4/c1-29-21(32)9-10-30(24(29)34)14-20(31)28-22(15-6-4-7-17(25)11-15)23(33)27-19-13-26-12-16-5-2-3-8-18(16)19/h2-8,11-13,22H,9-10,14H2,1H3,(H,27,33)(H,28,31)
InChIKeyNPHLLFPUJDYNDE-UHFFFAOYSA-N
MW479.92 g/mol
LogP2.97
Rot. Bonds6

About 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide

2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide (PubChem CID 156906545) has the molecular formula C24H22ClN5O4 and a molecular weight of 479.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide
PubChem CID156906545
Molecular FormulaC24H22ClN5O4
Molecular Weight479.92 g/mol
Exact Mass479.14
IUPAC Name2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide
SMILESCN1C(=O)CCN(CC(=O)NC(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1=O
InChIInChI=1S/C24H22ClN5O4/c1-29-21(32)9-10-30(24(29)34)14-20(31)28-22(15-6-4-7-17(25)11-15)23(33)27-19-13-26-12-16-5-2-3-8-18(16)19/h2-8,11-13,22H,9-10,14H2,1H3,(H,27,33)(H,28,31)
InChIKeyNPHLLFPUJDYNDE-UHFFFAOYSA-N
XLogP2.97
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide (CID 156906545) is 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide is CN1C(=O)CCN(CC(=O)NC(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide?
The InChIKey is NPHLLFPUJDYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4/c1-29-21(32)9-10-30(24(29)34)14-20(31)28-22(15-6-4-7-17(25)11-15)23(33)27-19-13-26-12-16-5-2-3-8-18(16)19/h2-8,11-13,22H,9-10,14H2,1H3,(H,27,33)(H,28,31).
What are the key properties of 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide?
2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide has a molecular weight of 479.92 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-isoquinolin-4-yl-2-[[2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 156906545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).