N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide

C17H20N2O2 — CID 170199318

IUPACN-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ccc2nc(OCCCC)ccc2c1
InChIInChI=1S/C17H20N2O2/c1-4-6-11-21-16-10-7-13-12-14(8-9-15(13)18-16)19(3)17(20)5-2/h5,7-10,12H,2,4,6,11H2,1,3H3
InChIKeyIVALXPGRIIGDCO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds6

About N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide

N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide (PubChem CID 170199318) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide
PubChem CID170199318
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ccc2nc(OCCCC)ccc2c1
InChIInChI=1S/C17H20N2O2/c1-4-6-11-21-16-10-7-13-12-14(8-9-15(13)18-16)19(3)17(20)5-2/h5,7-10,12H,2,4,6,11H2,1,3H3
InChIKeyIVALXPGRIIGDCO-UHFFFAOYSA-N
XLogP3.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(4-octoxyphenyl)prop-2-enamide
CID 134245809
2-pentoxyquinolin-6-amine
CID 43451126
2-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 122585497
N-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]acetamide
CID 45273437
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174
3-heptoxy-8-hexoxybenzo[f]quinoline
CID 21267303
3-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338
N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
CID 134246358
N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide
CID 68511183
butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane
CID 19033790
6-butoxy-3-hydroxypyridine-2-carboxylic acid
CID 19960286

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide?
The IUPAC name of N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide (CID 170199318) is N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide is C=CC(=O)N(C)c1ccc2nc(OCCCC)ccc2c1.
What is the InChIKey of N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide?
The InChIKey is IVALXPGRIIGDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-6-11-21-16-10-7-13-12-14(8-9-15(13)18-16)19(3)17(20)5-2/h5,7-10,12H,2,4,6,11H2,1,3H3.
What are the key properties of N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide?
N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 170199318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).