N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide

C16H24N2O — CID 109006191

IUPACN-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-4-11-17(2)16(19)13-18-12-7-9-14-8-5-6-10-15(14)18/h5-6,8,10H,3-4,7,9,11-13H2,1-2H3
InChIKeyHJZSCUMQCBDFGV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.70
Rot. Bonds5

About N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide

N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide (PubChem CID 109006191) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
PubChem CID109006191
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-4-11-17(2)16(19)13-18-12-7-9-14-8-5-6-10-15(14)18/h5-6,8,10H,3-4,7,9,11-13H2,1-2H3
InChIKeyHJZSCUMQCBDFGV-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994643
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166183
N-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylpyridine-2-carboxamide
CID 109099538
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide (CID 109006191) is N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide is CCCCN(C)C(=O)CN1CCCc2ccccc21.
What is the InChIKey of N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The InChIKey is HJZSCUMQCBDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-4-11-17(2)16(19)13-18-12-7-9-14-8-5-6-10-15(14)18/h5-6,8,10H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide is sourced from PubChem (CID 109006191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).