3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline

C26H25NO2 — CID 155185600

IUPAC3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(c1ccc3c(c1)CC(c1ccc4c(c1)CCCO4)O3)CN2
InChIInChI=1S/C26H25NO2/c1-2-6-23-18(4-1)13-22(16-27-23)17-7-10-25-21(12-17)15-26(29-25)20-8-9-24-19(14-20)5-3-11-28-24/h1-2,4,6-10,12,14,22,26-27H,3,5,11,13,15-16H2
InChIKeyHGYTZMKFTUFAQQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.44
Rot. Bonds2

About 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline

3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 155185600) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID155185600
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(c1ccc3c(c1)CC(c1ccc4c(c1)CCCO4)O3)CN2
InChIInChI=1S/C26H25NO2/c1-2-6-23-18(4-1)13-22(16-27-23)17-7-10-25-21(12-17)15-26(29-25)20-8-9-24-19(14-20)5-3-11-28-24/h1-2,4,6-10,12,14,22,26-27H,3,5,11,13,15-16H2
InChIKeyHGYTZMKFTUFAQQ-UHFFFAOYSA-N
XLogP5.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-2H-chromene
CID 173011896
2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromene
CID 173225746
3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 123488920
6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline
CID 134443689
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium
CID 16658319
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481085
3,4-dihydro-2H-chromene;ethane
CID 91076984
3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892569
6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline
CID 130296443
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline (CID 155185600) is 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(c1ccc3c(c1)CC(c1ccc4c(c1)CCCO4)O3)CN2.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is HGYTZMKFTUFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-2-6-23-18(4-1)13-22(16-27-23)17-7-10-25-21(12-17)15-26(29-25)20-8-9-24-19(14-20)5-3-11-28-24/h1-2,4,6-10,12,14,22,26-27H,3,5,11,13,15-16H2.
What are the key properties of 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline?
3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 383.49 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 155185600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).