7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C21H16ClN3O2 — CID 3388948

IUPAC7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1ccc(Cl)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H16ClN3O2/c22-17-9-7-14(26)12-16(17)20(25-18-5-1-2-10-23-18)15-8-6-13-4-3-11-24-19(13)21(15)27/h1-12,20,26-27H,(H,23,25)
InChIKeyHWMMCDOREJELOB-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.90
Rot. Bonds4

About 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 3388948) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID3388948
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1ccc(Cl)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H16ClN3O2/c22-17-9-7-14(26)12-16(17)20(25-18-5-1-2-10-23-18)15-8-6-13-4-3-11-24-19(13)21(15)27/h1-12,20,26-27H,(H,23,25)
InChIKeyHWMMCDOREJELOB-UHFFFAOYSA-N
XLogP4.90
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 67987463
7-[(S)-(2-chloro-6-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 40547635
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(2,5-dichlorophenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543055
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
2-chloro-3-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzonitrile;ethane
CID 176554015
7-[(R)-(5-methylthiophen-2-yl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1228836
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050
7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 3388948) is 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1ccc(Cl)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is HWMMCDOREJELOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-17-9-7-14(26)12-16(17)20(25-18-5-1-2-10-23-18)15-8-6-13-4-3-11-24-19(13)21(15)27/h1-12,20,26-27H,(H,23,25).
What are the key properties of 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 377.83 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 3388948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).