2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C17H23ClN2O2 — CID 78860764

IUPAC2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CCCc2cc(Cl)ccc21)C(C)C
InChIInChI=1S/C17H23ClN2O2/c1-11(2)17(12(3)21)19-16(22)10-20-8-4-5-13-9-14(18)6-7-15(13)20/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,19,22)
InChIKeyVKTADVKUPAKMLS-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.82
Rot. Bonds5

About 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 78860764) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID78860764
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CCCc2cc(Cl)ccc21)C(C)C
InChIInChI=1S/C17H23ClN2O2/c1-11(2)17(12(3)21)19-16(22)10-20-8-4-5-13-9-14(18)6-7-15(13)20/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,19,22)
InChIKeyVKTADVKUPAKMLS-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide with MolForge

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Related Compounds

2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 126815613
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8593487
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 60509494
N-propan-2-yl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 153329053
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
2-(2,4-dichlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]acetohydrazide
CID 7923511
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 54909730
N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide
CID 37202880

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 78860764) is 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN1CCCc2cc(Cl)ccc21)C(C)C.
What is the InChIKey of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is VKTADVKUPAKMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-11(2)17(12(3)21)19-16(22)10-20-8-4-5-13-9-14(18)6-7-15(13)20/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,19,22).
What are the key properties of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 322.84 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 78860764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).