1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide

C18H21N3O2 — CID 108979412

IUPAC1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)NC(=O)C1(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C18H21N3O2/c1-17(2,3)21-16(23)18(9-10-18)15(22)20-13-8-4-6-12-7-5-11-19-14(12)13/h4-8,11H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXLBJFIGCHUIHRQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.87
Rot. Bonds3

About 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide

1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108979412) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
PubChem CID108979412
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)NC(=O)C1(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C18H21N3O2/c1-17(2,3)21-16(23)18(9-10-18)15(22)20-13-8-4-6-12-7-5-11-19-14(12)13/h4-8,11H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXLBJFIGCHUIHRQ-UHFFFAOYSA-N
XLogP2.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide 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

1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108982341
1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983466
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914
1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537
1-N-(1,1-dioxothiolan-3-yl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108978009
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
1-N'-tert-butyl-1-N-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979351
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108978101
(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide
CID 887012
1-(2-methoxyphenyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 110438937

Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide (CID 108979412) is 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide is CC(C)(C)NC(=O)C1(C(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is XLBJFIGCHUIHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-17(2,3)21-16(23)18(9-10-18)15(22)20-13-8-4-6-12-7-5-11-19-14(12)13/h4-8,11H,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).