3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone

C28H29NO4 — CID 118716935

IUPAC3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N2CCCc3ccccc32)cc1OC
InChIInChI=1S/C28H29NO4/c1-31-25-15-14-22(17-26(25)32-2)33-19-28(21-11-4-3-5-12-21)18-23(28)27(30)29-16-8-10-20-9-6-7-13-24(20)29/h3-7,9,11-15,17,23H,8,10,16,18-19H2,1-2H3/t23-,28+/m0/s1
InChIKeyKNZRGDMEJAEMIQ-NEKDWFFYSA-N
MW443.54 g/mol
LogP5.02
Rot. Bonds7

About 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone (PubChem CID 118716935) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone
PubChem CID118716935
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N2CCCc3ccccc32)cc1OC
InChIInChI=1S/C28H29NO4/c1-31-25-15-14-22(17-26(25)32-2)33-19-28(21-11-4-3-5-12-21)18-23(28)27(30)29-16-8-10-20-9-6-7-13-24(20)29/h3-7,9,11-15,17,23H,8,10,16,18-19H2,1-2H3/t23-,28+/m0/s1
InChIKeyKNZRGDMEJAEMIQ-NEKDWFFYSA-N
XLogP5.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone (CID 118716935) is 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone is COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N2CCCc3ccccc32)cc1OC.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone?
The InChIKey is KNZRGDMEJAEMIQ-NEKDWFFYSA-N. The full InChI is InChI=1S/C28H29NO4/c1-31-25-15-14-22(17-26(25)32-2)33-19-28(21-11-4-3-5-12-21)18-23(28)27(30)29-16-8-10-20-9-6-7-13-24(20)29/h3-7,9,11-15,17,23H,8,10,16,18-19H2,1-2H3/t23-,28+/m0/s1.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone has a molecular weight of 443.54 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 118716935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).