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

C21H15ClFN3O — CID 2961169

IUPAC5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2ccccc2F)cc(Cl)c2cccnc12
InChIInChI=1S/C21H15ClFN3O/c22-16-12-15(21(27)20-13(16)7-5-11-25-20)19(14-6-1-2-8-17(14)23)26-18-9-3-4-10-24-18/h1-12,19,27H,(H,24,26)
InChIKeyCWNKFDCPRPBCRF-UHFFFAOYSA-N
MW379.82 g/mol
LogP5.33
Rot. Bonds4

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

5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2961169) has the molecular formula C21H15ClFN3O and a molecular weight of 379.82 g/mol. Its IUPAC name is 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2961169
Molecular FormulaC21H15ClFN3O
Molecular Weight379.82 g/mol
Exact Mass379.09
IUPAC Name5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2ccccc2F)cc(Cl)c2cccnc12
InChIInChI=1S/C21H15ClFN3O/c22-16-12-15(21(27)20-13(16)7-5-11-25-20)19(14-6-1-2-8-17(14)23)26-18-9-3-4-10-24-18/h1-12,19,27H,(H,24,26)
InChIKeyCWNKFDCPRPBCRF-UHFFFAOYSA-N
XLogP5.33
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.82
LogP ≤ 55.33
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

5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 45037803
5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1301420
5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2221516
5-chloro-7-[(4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966049
5-chloro-7-[(4-hydroxy-3-iodo-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966011
7-[(S)-(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2221429
7-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2966018
2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid
CID 174321396
ethyl 4-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate
CID 174319482
5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 147199836
7-[(S)-(2-chloro-6-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 40547635
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2961169) is 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2ccccn2)c2ccccc2F)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is CWNKFDCPRPBCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O/c22-16-12-15(21(27)20-13(16)7-5-11-25-20)19(14-6-1-2-8-17(14)23)26-18-9-3-4-10-24-18/h1-12,19,27H,(H,24,26).
What are the key properties of 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 379.82 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2961169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).