1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide

C22H20N4O3 — CID 108983466

IUPAC1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3cccc4cccnc34)CC2)c1
InChIInChI=1S/C22H20N4O3/c1-14(27)24-16-7-3-8-17(13-16)25-20(28)22(10-11-22)21(29)26-18-9-2-5-15-6-4-12-23-19(15)18/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyGAXNUSYHPHCSQM-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.55
Rot. Bonds5

About 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide

1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108983466) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
PubChem CID108983466
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3cccc4cccnc34)CC2)c1
InChIInChI=1S/C22H20N4O3/c1-14(27)24-16-7-3-8-17(13-16)25-20(28)22(10-11-22)21(29)26-18-9-2-5-15-6-4-12-23-19(15)18/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyGAXNUSYHPHCSQM-UHFFFAOYSA-N
XLogP3.55
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108979412
1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108982341
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
1-N-(1,1-dioxothiolan-3-yl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108978009
(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide
CID 887012
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide (CID 108983466) is 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3cccc4cccnc34)CC2)c1.
What is the InChIKey of 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is GAXNUSYHPHCSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14(27)24-16-7-3-8-17(13-16)25-20(28)22(10-11-22)21(29)26-18-9-2-5-15-6-4-12-23-19(15)18/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).