N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide

C23H30N2O4S — CID 118075564

IUPACN-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide
SMILESCCCOc1c(-c2ccc(N(C)S(C)(=O)=O)cc2)ccc2c1CC[C@H](C)N2C(C)=O
InChIInChI=1S/C23H30N2O4S/c1-6-15-29-23-20(18-8-10-19(11-9-18)24(4)30(5,27)28)13-14-22-21(23)12-7-16(2)25(22)17(3)26/h8-11,13-14,16H,6-7,12,15H2,1-5H3/t16-/m0/s1
InChIKeyJCTAKJCJVLCFHR-INIZCTEOSA-N
MW430.57 g/mol
LogP4.23
Rot. Bonds6

About N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide

N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide (PubChem CID 118075564) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide
PubChem CID118075564
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide
SMILESCCCOc1c(-c2ccc(N(C)S(C)(=O)=O)cc2)ccc2c1CC[C@H](C)N2C(C)=O
InChIInChI=1S/C23H30N2O4S/c1-6-15-29-23-20(18-8-10-19(11-9-18)24(4)30(5,27)28)13-14-22-21(23)12-7-16(2)25(22)17(3)26/h8-11,13-14,16H,6-7,12,15H2,1-5H3/t16-/m0/s1
InChIKeyJCTAKJCJVLCFHR-INIZCTEOSA-N
XLogP4.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 150763451
1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118086281
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
2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
CID 123635348
4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid
CID 118076382
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
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-pyrrolidin-3-ylethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123537334
1-[(2S)-5-methoxy-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144846260
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-methylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123614252

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide (CID 118075564) is N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide is CCCOc1c(-c2ccc(N(C)S(C)(=O)=O)cc2)ccc2c1CC[C@H](C)N2C(C)=O.
What is the InChIKey of N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is JCTAKJCJVLCFHR-INIZCTEOSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-6-15-29-23-20(18-8-10-19(11-9-18)24(4)30(5,27)28)13-14-22-21(23)12-7-16(2)25(22)17(3)26/h8-11,13-14,16H,6-7,12,15H2,1-5H3/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide?
N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118075564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).