(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide

C23H25N3O2 — CID 97193156

IUPAC(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
SMILESC[C@H](C(=O)NCCOc1cccc2cccnc12)N1CCc2ccccc2C1
InChIInChI=1S/C23H25N3O2/c1-17(26-14-11-18-6-2-3-7-20(18)16-26)23(27)25-13-15-28-21-10-4-8-19-9-5-12-24-22(19)21/h2-10,12,17H,11,13-16H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyDVCOGEUCNVLJTC-QGZVFWFLSA-N
MW375.47 g/mol
LogP3.18
Rot. Bonds6

About (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide

(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide (PubChem CID 97193156) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
PubChem CID97193156
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
SMILESC[C@H](C(=O)NCCOc1cccc2cccnc12)N1CCc2ccccc2C1
InChIInChI=1S/C23H25N3O2/c1-17(26-14-11-18-6-2-3-7-20(18)16-26)23(27)25-13-15-28-21-10-4-8-19-9-5-12-24-22(19)21/h2-10,12,17H,11,13-16H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyDVCOGEUCNVLJTC-QGZVFWFLSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide 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

(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289
2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
CID 131912053
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9248409
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 56787711
(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
CID 90241579
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]propanamide
CID 124750560
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461265
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119431742
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9248441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide?
The IUPAC name of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide (CID 97193156) is (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide.
What is the SMILES notation for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide?
The canonical SMILES for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide is C[C@H](C(=O)NCCOc1cccc2cccnc12)N1CCc2ccccc2C1.
What is the InChIKey of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide?
The InChIKey is DVCOGEUCNVLJTC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(26-14-11-18-6-2-3-7-20(18)16-26)23(27)25-13-15-28-21-10-4-8-19-9-5-12-24-22(19)21/h2-10,12,17H,11,13-16H2,1H3,(H,25,27)/t17-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide?
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide has a molecular weight of 375.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide is sourced from PubChem (CID 97193156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).