N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide

C14H16ClN3O — CID 55121574

IUPACN-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C14H16ClN3O/c1-2-16-9-7-13(19)18-12-6-5-11(15)14-10(12)4-3-8-17-14/h3-6,8,16H,2,7,9H2,1H3,(H,18,19)
InChIKeyJEZMOFIJKKYMFG-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.83
Rot. Bonds5

About N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide

N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide (PubChem CID 55121574) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
PubChem CID55121574
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C14H16ClN3O/c1-2-16-9-7-13(19)18-12-6-5-11(15)14-10(12)4-3-8-17-14/h3-6,8,16H,2,7,9H2,1H3,(H,18,19)
InChIKeyJEZMOFIJKKYMFG-UHFFFAOYSA-N
XLogP2.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
CID 81172078
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
CID 25335910
3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea
CID 118763585
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244
3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764

Frequently Asked Questions

What is the IUPAC name of N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide?
The IUPAC name of N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide (CID 55121574) is N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide?
The InChIKey is JEZMOFIJKKYMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-16-9-7-13(19)18-12-6-5-11(15)14-10(12)4-3-8-17-14/h3-6,8,16H,2,7,9H2,1H3,(H,18,19).
What are the key properties of N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide?
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide has a molecular weight of 277.75 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide is sourced from PubChem (CID 55121574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).