4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid

C21H30N2O4 — CID 118076382

IUPAC4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid
SMILESCCCOc1c(C2CCN(C(=O)O)CC2)ccc2c1CC[C@H](C)N2C(C)=O
InChIInChI=1S/C21H30N2O4/c1-4-13-27-20-17(16-9-11-22(12-10-16)21(25)26)7-8-19-18(20)6-5-14(2)23(19)15(3)24/h7-8,14,16H,4-6,9-13H2,1-3H3,(H,25,26)/t14-/m0/s1
InChIKeyDDYPXFVXOZMHSU-AWEZNQCLSA-N
MW374.48 g/mol
LogP4.02
Rot. Bonds4

About 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid

4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid (PubChem CID 118076382) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid
PubChem CID118076382
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid
SMILESCCCOc1c(C2CCN(C(=O)O)CC2)ccc2c1CC[C@H](C)N2C(C)=O
InChIInChI=1S/C21H30N2O4/c1-4-13-27-20-17(16-9-11-22(12-10-16)21(25)26)7-8-19-18(20)6-5-14(2)23(19)15(3)24/h7-8,14,16H,4-6,9-13H2,1-3H3,(H,25,26)/t14-/m0/s1
InChIKeyDDYPXFVXOZMHSU-AWEZNQCLSA-N
XLogP4.02
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
CID 118306000
4-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid
CID 118305996
1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118086281
1-[(2S)-2-methyl-6-[4-(methylsulfonylmethyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 153271502
1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118086296
N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide
CID 118076369
1-[(2S)-6-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 150763451
1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075867
4-(4-ethoxycarbonyl-2-nitrophenyl)piperidine-1-carboxylic acid
CID 123545705
[6-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118076159
2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
CID 123966437
1-[4-(2-ethoxy-4-ethylphenyl)piperidin-1-yl]ethanone
CID 18751552

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid (CID 118076382) is 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid is CCCOc1c(C2CCN(C(=O)O)CC2)ccc2c1CC[C@H](C)N2C(C)=O.
What is the InChIKey of 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid?
The InChIKey is DDYPXFVXOZMHSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-4-13-27-20-17(16-9-11-22(12-10-16)21(25)26)7-8-19-18(20)6-5-14(2)23(19)15(3)24/h7-8,14,16H,4-6,9-13H2,1-3H3,(H,25,26)/t14-/m0/s1.
What are the key properties of 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid?
4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid has a molecular weight of 374.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118076382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).