N-(2-aminocyclopropyl)quinoline-8-carboxamide

C13H13N3O — CID 62875389

IUPACN-(2-aminocyclopropyl)quinoline-8-carboxamide
SMILESNC1CC1NC(=O)c1cccc2cccnc12
InChIInChI=1S/C13H13N3O/c14-10-7-11(10)16-13(17)9-5-1-3-8-4-2-6-15-12(8)9/h1-6,10-11H,7,14H2,(H,16,17)
InChIKeyGIUBDWCTMMIHJC-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.06
Rot. Bonds2

About N-(2-aminocyclopropyl)quinoline-8-carboxamide

N-(2-aminocyclopropyl)quinoline-8-carboxamide (PubChem CID 62875389) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)quinoline-8-carboxamide
PubChem CID62875389
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(2-aminocyclopropyl)quinoline-8-carboxamide
SMILESNC1CC1NC(=O)c1cccc2cccnc12
InChIInChI=1S/C13H13N3O/c14-10-7-11(10)16-13(17)9-5-1-3-8-4-2-6-15-12(8)9/h1-6,10-11H,7,14H2,(H,16,17)
InChIKeyGIUBDWCTMMIHJC-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-(5-amino-2,6-dioxopiperidin-3-yl)quinoline-8-carboxamide
CID 162466167
4-(quinoline-8-carbonylamino)oxolane-3-carboxylic acid
CID 66221838
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
CID 97315545
8-hydroxy-N-(2-phenylcyclopropyl)quinoline-7-carboxamide
CID 20816868
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
N-(2-amino-1-cyclopropylethyl)quinoline-8-carboxamide;dihydrochloride
CID 119615422
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983
palladium;quinoline-8-carboxylic acid
CID 174945118

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)quinoline-8-carboxamide?
The IUPAC name of N-(2-aminocyclopropyl)quinoline-8-carboxamide (CID 62875389) is N-(2-aminocyclopropyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(2-aminocyclopropyl)quinoline-8-carboxamide?
The canonical SMILES for N-(2-aminocyclopropyl)quinoline-8-carboxamide is NC1CC1NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-aminocyclopropyl)quinoline-8-carboxamide?
The InChIKey is GIUBDWCTMMIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-10-7-11(10)16-13(17)9-5-1-3-8-4-2-6-15-12(8)9/h1-6,10-11H,7,14H2,(H,16,17).
What are the key properties of N-(2-aminocyclopropyl)quinoline-8-carboxamide?
N-(2-aminocyclopropyl)quinoline-8-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)quinoline-8-carboxamide is sourced from PubChem (CID 62875389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).