3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide

C16H21N3O — CID 62837223

IUPAC3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(C)c2ncccc12
InChIInChI=1S/C16H21N3O/c1-4-17-12(3)10-15(20)19-14-8-7-11(2)16-13(14)6-5-9-18-16/h5-9,12,17H,4,10H2,1-3H3,(H,19,20)
InChIKeyLILDETGCGPNQFK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds5

About 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide

3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide (PubChem CID 62837223) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
PubChem CID62837223
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(C)c2ncccc12
InChIInChI=1S/C16H21N3O/c1-4-17-12(3)10-15(20)19-14-8-7-11(2)16-13(14)6-5-9-18-16/h5-9,12,17H,4,10H2,1-3H3,(H,19,20)
InChIKeyLILDETGCGPNQFK-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide
CID 126443663
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide
CID 94669801
N-(8-methylquinolin-5-yl)-2-naphthalen-2-ylacetamide
CID 38280575
2-(3,5-dimethylphenoxy)-N-(8-methylquinolin-5-yl)acetamide
CID 38277487
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide (CID 62837223) is 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide is CCNC(C)CC(=O)Nc1ccc(C)c2ncccc12.
What is the InChIKey of 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide?
The InChIKey is LILDETGCGPNQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-17-12(3)10-15(20)19-14-8-7-11(2)16-13(14)6-5-9-18-16/h5-9,12,17H,4,10H2,1-3H3,(H,19,20).
What are the key properties of 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide?
3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide is sourced from PubChem (CID 62837223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).