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

C36H44N6O2 — CID 59976384

IUPACN-[(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
SMILESCc1cccc(N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3CC(CN(C)C)Cc4ccccc43)CC2)c1C
InChIInChI=1S/C36H44N6O2/c1-25-10-9-15-33(26(25)2)40-16-18-41(19-17-40)36(44)38-32(21-29-22-37-31-13-7-6-12-30(29)31)35(43)42-24-27(23-39(3)4)20-28-11-5-8-14-34(28)42/h5-15,22,27,32,37H,16-21,23-24H2,1-4H3,(H,38,44)/t27?,32-/m1/s1
InChIKeyIHBLOJKMSWIKIX-ZGKSLXBNSA-N
MW592.79 g/mol
LogP4.99
Rot. Bonds7

About 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

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 (PubChem CID 59976384) has the molecular formula C36H44N6O2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID59976384
Molecular FormulaC36H44N6O2
Molecular Weight592.79 g/mol
Exact Mass592.35
IUPAC NameN-[(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
SMILESCc1cccc(N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3CC(CN(C)C)Cc4ccccc43)CC2)c1C
InChIInChI=1S/C36H44N6O2/c1-25-10-9-15-33(26(25)2)40-16-18-41(19-17-40)36(44)38-32(21-29-22-37-31-13-7-6-12-30(29)31)35(43)42-24-27(23-39(3)4)20-28-11-5-8-14-34(28)42/h5-15,22,27,32,37H,16-21,23-24H2,1-4H3,(H,38,44)/t27?,32-/m1/s1
InChIKeyIHBLOJKMSWIKIX-ZGKSLXBNSA-N
XLogP4.99
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.79
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[(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
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
N-[1-[3-[(dibenzylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 18332983
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenoxypiperidine-1-carboxamide
CID 70103731
(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
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]-4-(4-fluorophenoxy)piperidine-1-carboxamide
CID 70106133
benzyl N-[[(3R)-1-[(2R)-3-(1H-indol-3-yl)-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]carbamate
CID 20712082
benzyl N-[[1-[3-(1H-indol-3-yl)-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]carbamate
CID 18333001
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-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide
CID 70104718
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide
CID 70105293

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3CC(CN(C)C)Cc4ccccc43)CC2)c1C.
What is the InChIKey of 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?
The InChIKey is IHBLOJKMSWIKIX-ZGKSLXBNSA-N. The full InChI is InChI=1S/C36H44N6O2/c1-25-10-9-15-33(26(25)2)40-16-18-41(19-17-40)36(44)38-32(21-29-22-37-31-13-7-6-12-30(29)31)35(43)42-24-27(23-39(3)4)20-28-11-5-8-14-34(28)42/h5-15,22,27,32,37H,16-21,23-24H2,1-4H3,(H,38,44)/t27?,32-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 592.79 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59976384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).