7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C21H15Cl2N3O — CID 67987463

IUPAC7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2cc(Cl)cc(Cl)c2)ccc2cccnc12
InChIInChI=1S/C21H15Cl2N3O/c22-15-10-14(11-16(23)12-15)19(26-18-5-1-2-8-24-18)17-7-6-13-4-3-9-25-20(13)21(17)27/h1-12,19,27H,(H,24,26)
InChIKeyYJRXOKKNHTYAKR-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.84
Rot. Bonds4

About 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 67987463) has the molecular formula C21H15Cl2N3O and a molecular weight of 396.28 g/mol. Its IUPAC name is 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID67987463
Molecular FormulaC21H15Cl2N3O
Molecular Weight396.28 g/mol
Exact Mass395.06
IUPAC Name7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2cc(Cl)cc(Cl)c2)ccc2cccnc12
InChIInChI=1S/C21H15Cl2N3O/c22-15-10-14(11-16(23)12-15)19(26-18-5-1-2-8-24-18)17-7-6-13-4-3-9-25-20(13)21(17)27/h1-12,19,27H,(H,24,26)
InChIKeyYJRXOKKNHTYAKR-UHFFFAOYSA-N
XLogP5.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol
CID 58542856
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3388948
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
7-[(S)-(2-chloro-6-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 40547635
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
3-ethynyl-5-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzenesulfonyl fluoride
CID 146474846
7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
CID 58543199
7-[(R)-(5-methylthiophen-2-yl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1228836
2-chloro-3-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzonitrile;ethane
CID 176554015

Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 67987463) is 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2ccccn2)c2cc(Cl)cc(Cl)c2)ccc2cccnc12.
What is the InChIKey of 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is YJRXOKKNHTYAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O/c22-15-10-14(11-16(23)12-15)19(26-18-5-1-2-8-24-18)17-7-6-13-4-3-9-25-20(13)21(17)27/h1-12,19,27H,(H,24,26).
What are the key properties of 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 396.28 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 67987463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).