1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C24H32N4O — CID 85472011

IUPAC1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCC(N)CC3)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C
InChIInChI=1S/C24H32N4O/c1-16-17(2)28(18(3)29)23-10-9-21(27-13-11-19(25)12-14-27)15-22(23)24(16)26-20-7-5-4-6-8-20/h4-10,15-17,19,24,26H,11-14,25H2,1-3H3/t16-,17-,24+/m0/s1
InChIKeyCNQNBODNDYOYRN-WOGXIUBCSA-N
MW392.55 g/mol
LogP4.16
Rot. Bonds3

About 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 85472011) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID85472011
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCC(N)CC3)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C
InChIInChI=1S/C24H32N4O/c1-16-17(2)28(18(3)29)23-10-9-21(27-13-11-19(25)12-14-27)15-22(23)24(16)26-20-7-5-4-6-8-20/h4-10,15-17,19,24,26H,11-14,25H2,1-3H3/t16-,17-,24+/m0/s1
InChIKeyCNQNBODNDYOYRN-WOGXIUBCSA-N
XLogP4.16
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[(2S,4R)-1-acetyl-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
CID 163601887
1-[(2S,3R)-6-(4-aminopiperidin-1-yl)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;aniline
CID 144701643
tert-butyl (1R,4R)-5-[(2S,3R,4R)-1-acetyl-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 118673170
1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118660542
4-[(3R)-1-acetyl-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 129081516
4-[(2S,3R,4R)-1-acetyl-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 85472290
tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
CID 118673169
(6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one
CID 148858495
1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118660148
N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide
CID 90434637
tert-butyl 4-[3-[[(2S,3R,4R)-1-acetyl-6-carbamoyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperazine-1-carboxylate
CID 118660380
1-[(2S,3R,4R)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;formic acid
CID 118659989

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 85472011) is 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(N3CCC(N)CC3)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C.
What is the InChIKey of 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is CNQNBODNDYOYRN-WOGXIUBCSA-N. The full InChI is InChI=1S/C24H32N4O/c1-16-17(2)28(18(3)29)23-10-9-21(27-13-11-19(25)12-14-27)15-22(23)24(16)26-20-7-5-4-6-8-20/h4-10,15-17,19,24,26H,11-14,25H2,1-3H3/t16-,17-,24+/m0/s1.
What are the key properties of 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 392.55 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 85472011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).