methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C26H33NO4 — CID 90377338

IUPACmethyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1c2c(cc(C)c1-c1ccc3c(c1)CCCO3)NCCC2
InChIInChI=1S/C26H33NO4/c1-16-14-20-19(9-6-12-27-20)23(24(25(28)29-5)31-26(2,3)4)22(16)18-10-11-21-17(15-18)8-7-13-30-21/h10-11,14-15,24,27H,6-9,12-13H2,1-5H3
InChIKeyNDOFFELVQJZETL-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.37
Rot. Bonds4

About methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 90377338) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID90377338
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Namemethyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1c2c(cc(C)c1-c1ccc3c(c1)CCCO3)NCCC2
InChIInChI=1S/C26H33NO4/c1-16-14-20-19(9-6-12-27-20)23(24(25(28)29-5)31-26(2,3)4)22(16)18-10-11-21-17(15-18)8-7-13-30-21/h10-11,14-15,24,27H,6-9,12-13H2,1-5H3
InChIKeyNDOFFELVQJZETL-UHFFFAOYSA-N
XLogP5.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate with MolForge

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Related Compounds

methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-1,7-dimethyl-3,4-dihydro-2H-quinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 134526417
methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 59578462
methyl 2-[5-[(4-chlorobenzoyl)amino]-2-(3,4-dihydro-2H-chromen-6-yl)-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90380241
methyl 2-[3-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,1-dioxo-1-benzothiophen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70855543
2-[2-(3,4-dihydro-2H-chromen-6-yl)-3,6-dimethyl-5-(propanoylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90377449
ethane;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)-3-(trifluoromethylsulfonyloxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 144603737
2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-pyridin-4-yl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-pyridin-4-yl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;pyridin-4-ylboronic acid
CID 157434431
methyl 2-[2-(3-chlorophenyl)-8-(3,4-dihydro-2H-chromen-6-yl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118326919
[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate
CID 144676719
methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70855246
2-[1-benzyl-6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-2-oxo-3,4-dihydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90380459
2-[5-[(2-chlorobenzoyl)amino]-2-(3,4-dihydro-2H-chromen-6-yl)-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90380324

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 90377338) is methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)C(OC(C)(C)C)c1c2c(cc(C)c1-c1ccc3c(c1)CCCO3)NCCC2.
What is the InChIKey of methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is NDOFFELVQJZETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-16-14-20-19(9-6-12-27-20)23(24(25(28)29-5)31-26(2,3)4)22(16)18-10-11-21-17(15-18)8-7-13-30-21/h10-11,14-15,24,27H,6-9,12-13H2,1-5H3.
What are the key properties of methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 423.55 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 90377338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).