N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide

C29H26N4O2 — CID 15104627

IUPACN-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C29H26N4O2/c1-33(19-20-9-3-2-4-10-20)29(35)27(16-22-17-31-26-14-8-6-12-24(22)26)32-28(34)23-15-21-11-5-7-13-25(21)30-18-23/h2-15,17-18,27,31H,16,19H2,1H3,(H,32,34)/t27-/m1/s1
InChIKeyRTZSWSVEJWVMPW-HHHXNRCGSA-N
MW462.55 g/mol
LogP4.72
Rot. Bonds7

About N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide

N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide (PubChem CID 15104627) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
PubChem CID15104627
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC NameN-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C29H26N4O2/c1-33(19-20-9-3-2-4-10-20)29(35)27(16-22-17-31-26-14-8-6-12-24(22)26)32-28(34)23-15-21-11-5-7-13-25(21)30-18-23/h2-15,17-18,27,31H,16,19H2,1H3,(H,32,34)/t27-/m1/s1
InChIKeyRTZSWSVEJWVMPW-HHHXNRCGSA-N
XLogP4.72
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide with MolForge

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Related Compounds

2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
4-[[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]methyl]-N-methylbenzamide
CID 8965686
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 24547191
N-[(2S)-1-[cyano(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 87849413
benzyl N-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 24546888
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide
CID 22942293
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
(2S)-2-acetamido-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 31239015
N-[3-(1H-indol-3-yl)-1-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650442
(2R)-2-[[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 97233891
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The IUPAC name of N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide (CID 15104627) is N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide is CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The InChIKey is RTZSWSVEJWVMPW-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-33(19-20-9-3-2-4-10-20)29(35)27(16-22-17-31-26-14-8-6-12-24(22)26)32-28(34)23-15-21-11-5-7-13-25(21)30-18-23/h2-15,17-18,27,31H,16,19H2,1H3,(H,32,34)/t27-/m1/s1.
What are the key properties of N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide?
N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 15104627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).