2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide

C27H33N3O5 — CID 123966437

IUPAC2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
SMILESCC(=O)N1c2ccc(-c3cccc(C(=O)N4CCOCC4)c3)c(OCC(=O)N(C)C)c2CCC1C
InChIInChI=1S/C27H33N3O5/c1-18-8-9-23-24(30(18)19(2)31)11-10-22(26(23)35-17-25(32)28(3)4)20-6-5-7-21(16-20)27(33)29-12-14-34-15-13-29/h5-7,10-11,16,18H,8-9,12-15,17H2,1-4H3
InChIKeyKRUXRLYGEQFGBZ-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.98
Rot. Bonds5

About 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide

2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide (PubChem CID 123966437) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
PubChem CID123966437
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
SMILESCC(=O)N1c2ccc(-c3cccc(C(=O)N4CCOCC4)c3)c(OCC(=O)N(C)C)c2CCC1C
InChIInChI=1S/C27H33N3O5/c1-18-8-9-23-24(30(18)19(2)31)11-10-22(26(23)35-17-25(32)28(3)4)20-6-5-7-21(16-20)27(33)29-12-14-34-15-13-29/h5-7,10-11,16,18H,8-9,12-15,17H2,1-4H3
InChIKeyKRUXRLYGEQFGBZ-UHFFFAOYSA-N
XLogP2.98
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118086281
2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
CID 123635348
2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-1-morpholin-4-ylethanone
CID 118075906
N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide
CID 118075564
1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
CID 118306000
1-[(2S)-2-methyl-6-[4-(methylsulfonylmethyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 153271502
N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide
CID 118076369
1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-5-[(3-fluorooxetan-3-yl)methoxy]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075883
methyl (2S)-5-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118076101
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-methylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123614252
1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 86709433
1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075867

Frequently Asked Questions

What is the IUPAC name of 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide (CID 123966437) is 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide is CC(=O)N1c2ccc(-c3cccc(C(=O)N4CCOCC4)c3)c(OCC(=O)N(C)C)c2CCC1C.
What is the InChIKey of 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is KRUXRLYGEQFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-18-8-9-23-24(30(18)19(2)31)11-10-22(26(23)35-17-25(32)28(3)4)20-6-5-7-21(16-20)27(33)29-12-14-34-15-13-29/h5-7,10-11,16,18H,8-9,12-15,17H2,1-4H3.
What are the key properties of 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide?
2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 479.58 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 123966437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).