2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide

C13H13N3O — CID 114995607

IUPAC2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
SMILESNC1CC1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H13N3O/c14-11-6-10(11)13(17)16-9-5-8-3-1-2-4-12(8)15-7-9/h1-5,7,10-11H,6,14H2,(H,16,17)
InChIKeyJAGPRLALGYJUEP-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide

2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide (PubChem CID 114995607) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
PubChem CID114995607
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
SMILESNC1CC1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H13N3O/c14-11-6-10(11)13(17)16-9-5-8-3-1-2-4-12(8)15-7-9/h1-5,7,10-11H,6,14H2,(H,16,17)
InChIKeyJAGPRLALGYJUEP-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 59895156
2-amino-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 55035485
(1R,2S,3S,4R)-3-(quinolin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18555567
(1R,2R,3S,4S)-3-(quinolin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 7470349
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119840923
2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 53368137
(2R)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 103813435
(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119840907
1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
CID 55718448
methyl N-quinolin-3-ylcarbamate
CID 19697860
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
1-methyl-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 43926673

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide (CID 114995607) is 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide is NC1CC1C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide?
The InChIKey is JAGPRLALGYJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-11-6-10(11)13(17)16-9-5-8-3-1-2-4-12(8)15-7-9/h1-5,7,10-11H,6,14H2,(H,16,17).
What are the key properties of 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide?
2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 114995607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).