6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol

C20H13ClFN3O — CID 171620910

IUPAC6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol
SMILESOc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2ccccc12
InChIInChI=1S/C20H13ClFN3O/c21-12-5-6-15(22)14(9-12)18-10-19(20(26)11-24-18)25-17-7-8-23-16-4-2-1-3-13(16)17/h1-11,26H,(H,23,24,25)
InChIKeyUAFRDNHHLPQBOU-UHFFFAOYSA-N
MW365.80 g/mol
LogP5.54
Rot. Bonds3

About 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol

6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol (PubChem CID 171620910) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol
PubChem CID171620910
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol
SMILESOc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2ccccc12
InChIInChI=1S/C20H13ClFN3O/c21-12-5-6-15(22)14(9-12)18-10-19(20(26)11-24-18)25-17-7-8-23-16-4-2-1-3-13(16)17/h1-11,26H,(H,23,24,25)
InChIKeyUAFRDNHHLPQBOU-UHFFFAOYSA-N
XLogP5.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.80
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-4-(4-hydroxyanilino)quinoline
CID 224178
2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol
CID 135567438
4-Chloroquinolin-8-ol
CID 384164
(E)-6-(4-((7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino)butyl)-3-hydroxypicolinaldehyde oxime
CID 135567444
2-(Aminomethyl)-4-((7-chloroquinolin-4-yl)amino)phenol
CID 181536
2-[[3-[(7-Chloroquinolin-4-yl)amino]propyl-propylamino]methyl]phenol
CID 11846640
2-[[3-[(7-Chloroquinolin-4-yl)amino]propyl-propylamino]methyl]-6-fluorophenol
CID 11847271
5-Chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride
CID 90664797
4-[(7-Chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)-6-fluorophenol
CID 10044903
4-[(7-Chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)-2,3-difluorophenol
CID 10249914
5-Chloro-7-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-8-quinolinol
CID 1263653
4-[4-(7-Chloroquinolin-4-yl)piperazin-1-yl]phenol
CID 4795341

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol (CID 171620910) is 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol is Oc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2ccccc12.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol?
The InChIKey is UAFRDNHHLPQBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c21-12-5-6-15(22)14(9-12)18-10-19(20(26)11-24-18)25-17-7-8-23-16-4-2-1-3-13(16)17/h1-11,26H,(H,23,24,25).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol?
6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol has a molecular weight of 365.80 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-4-(quinolin-4-ylamino)pyridin-3-ol is sourced from PubChem (CID 171620910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).