N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide

C17H21N3O — CID 102873955

IUPACN-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide
SMILESNCCCN(C(=O)c1cccc2ncccc12)C1CCC1
InChIInChI=1S/C17H21N3O/c18-10-4-12-20(13-5-1-6-13)17(21)15-7-2-9-16-14(15)8-3-11-19-16/h2-3,7-9,11,13H,1,4-6,10,12,18H2
InChIKeyJEACUOVPDJXUJT-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.58
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide

N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide (PubChem CID 102873955) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide
PubChem CID102873955
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide
SMILESNCCCN(C(=O)c1cccc2ncccc12)C1CCC1
InChIInChI=1S/C17H21N3O/c18-10-4-12-20(13-5-1-6-13)17(21)15-7-2-9-16-14(15)8-3-11-19-16/h2-3,7-9,11,13H,1,4-6,10,12,18H2
InChIKeyJEACUOVPDJXUJT-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide 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

N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
CID 102874207
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(3-aminopropyl)-N-cyclopentyl-3-methylpyridine-2-carboxamide
CID 62338909
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(2-aminoethyl)-N-cyclopropylquinoxaline-5-carboxamide
CID 104613988
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide
CID 104615686
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide (CID 102873955) is N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide is NCCCN(C(=O)c1cccc2ncccc12)C1CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide?
The InChIKey is JEACUOVPDJXUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-10-4-12-20(13-5-1-6-13)17(21)15-7-2-9-16-14(15)8-3-11-19-16/h2-3,7-9,11,13H,1,4-6,10,12,18H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide?
N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutylquinoline-5-carboxamide is sourced from PubChem (CID 102873955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).