2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide

C20H15N3O4 — CID 110427972

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
SMILESCc1cc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2[nH]c1=O
InChIInChI=1S/C20H15N3O4/c1-11-8-12-6-7-13(9-16(12)22-18(11)25)21-17(24)10-23-19(26)14-4-2-3-5-15(14)20(23)27/h2-9H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyXHILAONIWMQCDZ-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.07
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide (PubChem CID 110427972) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
PubChem CID110427972
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
SMILESCc1cc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2[nH]c1=O
InChIInChI=1S/C20H15N3O4/c1-11-8-12-6-7-13(9-16(12)22-18(11)25)21-17(24)10-23-19(26)14-4-2-3-5-15(14)20(23)27/h2-9H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyXHILAONIWMQCDZ-UHFFFAOYSA-N
XLogP2.07
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110778994
2-(1H-indol-3-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427960
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-2-(3-methylphenoxy)acetamide
CID 110668350
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
2-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297706
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 110425693
4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide
CID 110613710
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide (CID 110427972) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide is Cc1cc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2[nH]c1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide?
The InChIKey is XHILAONIWMQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-11-8-12-6-7-13(9-16(12)22-18(11)25)21-17(24)10-23-19(26)14-4-2-3-5-15(14)20(23)27/h2-9H,10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide has a molecular weight of 361.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide is sourced from PubChem (CID 110427972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).