N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C19H18N4O4 — CID 75466099

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cn3nc4c(cc3=O)CCCC4)cc2C1=O
InChIInChI=1S/C19H18N4O4/c1-22-18(26)13-7-6-12(9-14(13)19(22)27)20-16(24)10-23-17(25)8-11-4-2-3-5-15(11)21-23/h6-9H,2-5,10H2,1H3,(H,20,24)
InChIKeyOOVIYUQEUMULAD-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.99
Rot. Bonds3

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 75466099) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID75466099
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cn3nc4c(cc3=O)CCCC4)cc2C1=O
InChIInChI=1S/C19H18N4O4/c1-22-18(26)13-7-6-12(9-14(13)19(22)27)20-16(24)10-23-17(25)8-11-4-2-3-5-15(11)21-23/h6-9H,2-5,10H2,1H3,(H,20,24)
InChIKeyOOVIYUQEUMULAD-UHFFFAOYSA-N
XLogP0.99
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 75466099) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is CN1C(=O)c2ccc(NC(=O)Cn3nc4c(cc3=O)CCCC4)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is OOVIYUQEUMULAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-22-18(26)13-7-6-12(9-14(13)19(22)27)20-16(24)10-23-17(25)8-11-4-2-3-5-15(11)21-23/h6-9H,2-5,10H2,1H3,(H,20,24).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 75466099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).