1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one

C21H28N2O3 — CID 174296543

IUPAC1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one
SMILESCC(=O)C1CNCCC1CCC(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C21H28N2O3/c1-14(24)19-13-22-10-9-16(19)6-8-21(26)18-5-7-20-17(12-18)4-3-11-23(20)15(2)25/h5,7,12,16,19,22H,3-4,6,8-11,13H2,1-2H3
InChIKeyHKPSZVBZDWILQE-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.76
Rot. Bonds5

About 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one

1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one (PubChem CID 174296543) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one
PubChem CID174296543
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one
SMILESCC(=O)C1CNCCC1CCC(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C21H28N2O3/c1-14(24)19-13-22-10-9-16(19)6-8-21(26)18-5-7-20-17(12-18)4-3-11-23(20)15(2)25/h5,7,12,16,19,22H,3-4,6,8-11,13H2,1-2H3
InChIKeyHKPSZVBZDWILQE-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one with MolForge

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Related Compounds

1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one;(E)-but-2-enedioic acid
CID 19108443
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
CID 94724136
1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one
CID 82341570
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 63714163
1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 84751024
1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
CID 120557717
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-bromobutan-1-one
CID 82136334

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one (CID 174296543) is 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one is CC(=O)C1CNCCC1CCC(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one?
The InChIKey is HKPSZVBZDWILQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(24)19-13-22-10-9-16(19)6-8-21(26)18-5-7-20-17(12-18)4-3-11-23(20)15(2)25/h5,7,12,16,19,22H,3-4,6,8-11,13H2,1-2H3.
What are the key properties of 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one?
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 174296543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).