2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol

C26H18N4O2 — CID 136610168

IUPAC2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1c(/N=C/c2ccccc2O)c2cccnc2c2ncccc12
InChIInChI=1S/C26H18N4O2/c31-21-11-3-1-7-17(21)15-29-25-19-9-5-13-27-23(19)24-20(10-6-14-28-24)26(25)30-16-18-8-2-4-12-22(18)32/h1-16,31-32H/b29-15+,30-16+
InChIKeyAJVFTWVMMSHOND-CMNXJCJSSA-N
MW418.46 g/mol
LogP5.70
Rot. Bonds4

About 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol

2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol (PubChem CID 136610168) has the molecular formula C26H18N4O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol
PubChem CID136610168
Molecular FormulaC26H18N4O2
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC Name2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1c(/N=C/c2ccccc2O)c2cccnc2c2ncccc12
InChIInChI=1S/C26H18N4O2/c31-21-11-3-1-7-17(21)15-29-25-19-9-5-13-27-23(19)24-20(10-6-14-28-24)26(25)30-16-18-8-2-4-12-22(18)32/h1-16,31-32H/b29-15+,30-16+
InChIKeyAJVFTWVMMSHOND-CMNXJCJSSA-N
XLogP5.70
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[(Quinolin-8-ylamino)methyl]phenol
CID 890662
7-[[4-[(8-Hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 1351544
3-(4-ethylpiperazin-1-yl)-N-(3-hydroxybenzyl)-7-(trifluoromethyl)quinolin-5-amine
CID 50997099
7-(Phenyl(8-quinolinylamino)methyl)-8-quinolinol
CID 256758
3-[8-Amino-3-(3-hydroxyphenyl)pyrido[3,4-b]pyrazin-2-yl]phenol
CID 17755301
2,3-Bis(4-hydroxyphenyl)-pyrido[3,4-b]pyrazin-8-ylamine
CID 135610077
17,24-Diaza-1,9-diazoniaheptacyclo[23.6.2.29,16.219,22.13,7.010,15.026,31]octatriaconta-1(32),3(38),4,6,9(37),10,12,14,16(36),19,21,25(33),26,28,30,34-hexadecaen-38-ol
CID 10818198
4-[[2-(4-Methylphenyl)quinolin-4-yl]amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 10884663
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
CID 73345796
4-[4-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol
CID 164611944
3-[3-(4-Methylpiperazin-1-yl)quinolin-5-yl]phenol
CID 50997455
5-[(E)-[4-[(E)-(8-hydroxy-5-quinolyl)azo]phenyl]azo]quinolin-8-ol
CID 135594047

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol?
The IUPAC name of 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol (CID 136610168) is 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol is Oc1ccccc1/C=N/c1c(/N=C/c2ccccc2O)c2cccnc2c2ncccc12.
What is the InChIKey of 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol?
The InChIKey is AJVFTWVMMSHOND-CMNXJCJSSA-N. The full InChI is InChI=1S/C26H18N4O2/c31-21-11-3-1-7-17(21)15-29-25-19-9-5-13-27-23(19)24-20(10-6-14-28-24)26(25)30-16-18-8-2-4-12-22(18)32/h1-16,31-32H/b29-15+,30-16+.
What are the key properties of 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol?
2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol has a molecular weight of 418.46 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol is sourced from PubChem (CID 136610168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).