2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

C20H17N3O2 — CID 109140873

IUPAC2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H17N3O2/c24-19(22-14-8-2-1-3-9-14)15-12-16(15)20(25)23-17-10-4-6-13-7-5-11-21-18(13)17/h1-11,15-16H,12H2,(H,22,24)(H,23,25)
InChIKeyLLCLCQDNAMOUMJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.45
Rot. Bonds4

About 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109140873) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
PubChem CID109140873
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H17N3O2/c24-19(22-14-8-2-1-3-9-14)15-12-16(15)20(25)23-17-10-4-6-13-7-5-11-21-18(13)17/h1-11,15-16H,12H2,(H,22,24)(H,23,25)
InChIKeyLLCLCQDNAMOUMJ-UHFFFAOYSA-N
XLogP3.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
2-(pyrrolidine-1-carbonyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 109131957
1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144098
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135997
1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109136841
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
(1R,2R,3R,4R)-3-(quinolin-8-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124766624
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (CID 109140873) is 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is O=C(Nc1ccccc1)C1CC1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is LLCLCQDNAMOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(22-14-8-2-1-3-9-14)15-12-16(15)20(25)23-17-10-4-6-13-7-5-11-21-18(13)17/h1-11,15-16H,12H2,(H,22,24)(H,23,25).
What are the key properties of 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).