(2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C23H28N4O — CID 20712075

IUPAC(2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCN(C)C[C@@H]1Cc2ccccc2N(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H28N4O/c1-26(2)14-16-11-17-7-3-6-10-22(17)27(15-16)23(28)20(24)12-18-13-25-21-9-5-4-8-19(18)21/h3-10,13,16,20,25H,11-12,14-15,24H2,1-2H3/t16-,20+/m0/s1
InChIKeyYMXMKQZPTCYXQM-OXJNMPFZSA-N
MW376.50 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one

(2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 20712075) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID20712075
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCN(C)C[C@@H]1Cc2ccccc2N(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H28N4O/c1-26(2)14-16-11-17-7-3-6-10-22(17)27(15-16)23(28)20(24)12-18-13-25-21-9-5-4-8-19(18)21/h3-10,13,16,20,25H,11-12,14-15,24H2,1-2H3/t16-,20+/m0/s1
InChIKeyYMXMKQZPTCYXQM-OXJNMPFZSA-N
XLogP2.80
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one with MolForge

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Related Compounds

(2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 70104903
(2R)-2-amino-1-[(3S)-5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 70106714
N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 59976393
benzyl N-[[1-[2-amino-3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]carbamate
CID 18333089
N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 15542691
tert-butyl 4-[[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 59976397
N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 59976384
(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 167982527
1-acetyl-N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70107047
N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 70103413
1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 119956056
(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 22691497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 20712075) is (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one is CN(C)C[C@@H]1Cc2ccccc2N(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is YMXMKQZPTCYXQM-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H28N4O/c1-26(2)14-16-11-17-7-3-6-10-22(17)27(15-16)23(28)20(24)12-18-13-25-21-9-5-4-8-19(18)21/h3-10,13,16,20,25H,11-12,14-15,24H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
(2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 376.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 20712075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).