2-[(4-phenylanilino)methyl]quinolin-8-ol

C22H18N2O — CID 153324751

IUPAC2-[(4-phenylanilino)methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CNc3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C22H18N2O/c25-21-8-4-7-18-11-14-20(24-22(18)21)15-23-19-12-9-17(10-13-19)16-5-2-1-3-6-16/h1-14,23,25H,15H2
InChIKeyJAUNPMCSQXWGTL-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.22
Rot. Bonds4

About 2-[(4-phenylanilino)methyl]quinolin-8-ol

2-[(4-phenylanilino)methyl]quinolin-8-ol (PubChem CID 153324751) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(4-phenylanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(4-phenylanilino)methyl]quinolin-8-ol
PubChem CID153324751
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2-[(4-phenylanilino)methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CNc3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C22H18N2O/c25-21-8-4-7-18-11-14-20(24-22(18)21)15-23-19-12-9-17(10-13-19)16-5-2-1-3-6-16/h1-14,23,25H,15H2
InChIKeyJAUNPMCSQXWGTL-UHFFFAOYSA-N
XLogP5.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloroanilino)methyl]quinolin-8-ol
CID 20930675
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
CID 10695390
CID 10695390
2-(8-hydroxyquinolin-2-yl)-1-phenylethanone
CID 174915828
2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol
CID 67454262
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
2-prop-2-ynylquinolin-8-ol
CID 87394450
N-benzyl-8-hydroxyquinoline-2-carboxamide
CID 46364206
2-(3-hydroxyprop-2-enyl)quinolin-8-ol
CID 66837760
2-[[4-(4-methylphenyl)anilino]methyl]phenol
CID 122182729
2-[[4-(3-fluorophenyl)anilino]methyl]phenol
CID 122182740

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylanilino)methyl]quinolin-8-ol?
The IUPAC name of 2-[(4-phenylanilino)methyl]quinolin-8-ol (CID 153324751) is 2-[(4-phenylanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 2-[(4-phenylanilino)methyl]quinolin-8-ol?
The canonical SMILES for 2-[(4-phenylanilino)methyl]quinolin-8-ol is Oc1cccc2ccc(CNc3ccc(-c4ccccc4)cc3)nc12.
What is the InChIKey of 2-[(4-phenylanilino)methyl]quinolin-8-ol?
The InChIKey is JAUNPMCSQXWGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-21-8-4-7-18-11-14-20(24-22(18)21)15-23-19-12-9-17(10-13-19)16-5-2-1-3-6-16/h1-14,23,25H,15H2.
What are the key properties of 2-[(4-phenylanilino)methyl]quinolin-8-ol?
2-[(4-phenylanilino)methyl]quinolin-8-ol has a molecular weight of 326.40 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 153324751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).