2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide

C25H33N3O3 — CID 51641015

IUPAC2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1OC
InChIInChI=1S/C25H33N3O3/c1-27-13-7-8-18-16-19(11-12-21(18)27)22(28-14-4-5-15-28)17-26-25(29)20-9-6-10-23(30-2)24(20)31-3/h6,9-12,16,22H,4-5,7-8,13-15,17H2,1-3H3,(H,26,29)/t22-/m0/s1
InChIKeySZPKLTODUJTUJH-QFIPXVFZSA-N
MW423.56 g/mol
LogP3.65
Rot. Bonds7

About 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide

2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 51641015) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID51641015
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1OC
InChIInChI=1S/C25H33N3O3/c1-27-13-7-8-18-16-19(11-12-21(18)27)22(28-14-4-5-15-28)17-26-25(29)20-9-6-10-23(30-2)24(20)31-3/h6,9-12,16,22H,4-5,7-8,13-15,17H2,1-3H3,(H,26,29)/t22-/m0/s1
InChIKeySZPKLTODUJTUJH-QFIPXVFZSA-N
XLogP3.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40955890
5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30577313
N'-(3-methoxyphenyl)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949298
N'-(3-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949294
3,5-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 16802048
3-chloro-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]benzamide
CID 40948864
2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30577498
3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40890098
4-bromo-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27369685
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 27369763
2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40948997
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]propanamide
CID 40948904

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 51641015) is 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is SZPKLTODUJTUJH-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-27-13-7-8-18-16-19(11-12-21(18)27)22(28-14-4-5-15-28)17-26-25(29)20-9-6-10-23(30-2)24(20)31-3/h6,9-12,16,22H,4-5,7-8,13-15,17H2,1-3H3,(H,26,29)/t22-/m0/s1.
What are the key properties of 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide?
2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 51641015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).