2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

C22H26N2O2 — CID 8593487

IUPAC2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCc2cc(C)ccc21
InChIInChI=1S/C22H26N2O2/c1-16-10-11-21-19(13-16)9-6-12-24(21)15-22(26)23-20(17(2)25)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,12,14-15H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyDCGAQSZJGCJDNS-FQEVSTJZSA-N
MW350.46 g/mol
LogP3.06
Rot. Bonds6

About 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 8593487) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID8593487
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCc2cc(C)ccc21
InChIInChI=1S/C22H26N2O2/c1-16-10-11-21-19(13-16)9-6-12-24(21)15-22(26)23-20(17(2)25)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,12,14-15H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyDCGAQSZJGCJDNS-FQEVSTJZSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 34009418
N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593415
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 126815613
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
N-(2-cyanophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593510
2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593408
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78860764

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 8593487) is 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCc2cc(C)ccc21.
What is the InChIKey of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is DCGAQSZJGCJDNS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-10-11-21-19(13-16)9-6-12-24(21)15-22(26)23-20(17(2)25)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,12,14-15H2,1-2H3,(H,23,26)/t20-/m0/s1.
What are the key properties of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 8593487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).