1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

C22H22N2O2 — CID 135683533

IUPAC1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccc2oc3c(c2c1/C=N/N1CCCc2ccccc21)CCCC3
InChIInChI=1S/C22H22N2O2/c25-19-11-12-21-22(16-8-2-4-10-20(16)26-21)17(19)14-23-24-13-5-7-15-6-1-3-9-18(15)24/h1,3,6,9,11-12,14,25H,2,4-5,7-8,10,13H2/b23-14+
InChIKeyFCFBISHTRDYECW-OEAKJJBVSA-N
MW346.43 g/mol
LogP4.80
Rot. Bonds2

About 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 135683533) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID135683533
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccc2oc3c(c2c1/C=N/N1CCCc2ccccc21)CCCC3
InChIInChI=1S/C22H22N2O2/c25-19-11-12-21-22(16-8-2-4-10-20(16)26-21)17(19)14-23-24-13-5-7-15-6-1-3-9-18(15)24/h1,3,6,9,11-12,14,25H,2,4-5,7-8,10,13H2/b23-14+
InChIKeyFCFBISHTRDYECW-OEAKJJBVSA-N
XLogP4.80
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol with MolForge

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Related Compounds

(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine
CID 12914611
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
CID 12023374
N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 135473333
N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline
CID 54417947
1-[(E)-2-nitroethenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol
CID 10912680
N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
CID 165346469
N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline
CID 54078156
1-[1,3-bis[(2-hydroxyphenyl)methyl]imidazolidine-1,3-diium-2-yl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
CID 4225708
1-azido-2,3-dihydroindole
CID 54253401
3,4-dihydro-2H-quinolin-1-ylcarbamic acid
CID 67189387
3,4-dihydro-2H-quinolin-1-ylurea
CID 19747645
(E)-1-[2-[(E)-2,3-dihydroindol-1-yliminomethyl]phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 53376070

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 135683533) is 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is Oc1ccc2oc3c(c2c1/C=N/N1CCCc2ccccc21)CCCC3.
What is the InChIKey of 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is FCFBISHTRDYECW-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-19-11-12-21-22(16-8-2-4-10-20(16)26-21)17(19)14-23-24-13-5-7-15-6-1-3-9-18(15)24/h1,3,6,9,11-12,14,25H,2,4-5,7-8,10,13H2/b23-14+.
What are the key properties of 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 346.43 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 135683533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).