(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

C23H27ClN4O — CID 70106714

IUPAC(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
SMILESCN(C)C[C@@H]1Cc2c(Cl)cccc2N(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H27ClN4O/c1-27(2)13-15-10-18-19(24)7-5-9-22(18)28(14-15)23(29)20(25)11-16-12-26-21-8-4-3-6-17(16)21/h3-9,12,15,20,26H,10-11,13-14,25H2,1-2H3/t15-,20+/m0/s1
InChIKeyAGJXGHINAMPPPB-MGPUTAFESA-N
MW410.95 g/mol
LogP3.46
Rot. Bonds5

About (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

(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 (PubChem CID 70106714) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID70106714
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name(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
SMILESCN(C)C[C@@H]1Cc2c(Cl)cccc2N(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H27ClN4O/c1-27(2)13-15-10-18-19(24)7-5-9-22(18)28(14-15)23(29)20(25)11-16-12-26-21-8-4-3-6-17(16)21/h3-9,12,15,20,26H,10-11,13-14,25H2,1-2H3/t15-,20+/m0/s1
InChIKeyAGJXGHINAMPPPB-MGPUTAFESA-N
XLogP3.46
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

(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
(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
1-benzoyl-N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70105003
N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 70106902
(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 167982527
N-[(2R)-1-[5-acetamido-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 142056003
1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 119956056
(2S)-2-amino-1-(4-ethylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119956827
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-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 59976393
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(C)C[C@@H]1Cc2c(Cl)cccc2N(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of (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?
The InChIKey is AGJXGHINAMPPPB-MGPUTAFESA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-27(2)13-15-10-18-19(24)7-5-9-22(18)28(14-15)23(29)20(25)11-16-12-26-21-8-4-3-6-17(16)21/h3-9,12,15,20,26H,10-11,13-14,25H2,1-2H3/t15-,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 410.95 g/mol, XLogP of 3.46, 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)-5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 70106714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).