4-(4-fluoropyrazol-1-yl)-2-methylquinoline

C13H10FN3 — CID 141419462

IUPAC4-(4-fluoropyrazol-1-yl)-2-methylquinoline
SMILESCc1cc(-n2cc(F)cn2)c2ccccc2n1
InChIInChI=1S/C13H10FN3/c1-9-6-13(17-8-10(14)7-15-17)11-4-2-3-5-12(11)16-9/h2-8H,1H3
InChIKeyGIRGICGILOGATE-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.87
Rot. Bonds1

About 4-(4-fluoropyrazol-1-yl)-2-methylquinoline

4-(4-fluoropyrazol-1-yl)-2-methylquinoline (PubChem CID 141419462) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(4-fluoropyrazol-1-yl)-2-methylquinoline.

Molecular Properties

Compound Name4-(4-fluoropyrazol-1-yl)-2-methylquinoline
PubChem CID141419462
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name4-(4-fluoropyrazol-1-yl)-2-methylquinoline
SMILESCc1cc(-n2cc(F)cn2)c2ccccc2n1
InChIInChI=1S/C13H10FN3/c1-9-6-13(17-8-10(14)7-15-17)11-4-2-3-5-12(11)16-9/h2-8H,1H3
InChIKeyGIRGICGILOGATE-UHFFFAOYSA-N
XLogP2.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid
CID 22024945
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline
CID 114204834
4-imidazo[4,5-c]pyridin-1-yl-2-methylquinoline
CID 58820211
[1-[(2-methylquinolin-4-yl)methyl]pyrazol-4-yl]methanamine
CID 79241282
2-methylquinolin-4-amine
CID 162035180
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945866
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine
CID 115305596

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropyrazol-1-yl)-2-methylquinoline?
The IUPAC name of 4-(4-fluoropyrazol-1-yl)-2-methylquinoline (CID 141419462) is 4-(4-fluoropyrazol-1-yl)-2-methylquinoline.
What is the SMILES notation for 4-(4-fluoropyrazol-1-yl)-2-methylquinoline?
The canonical SMILES for 4-(4-fluoropyrazol-1-yl)-2-methylquinoline is Cc1cc(-n2cc(F)cn2)c2ccccc2n1.
What is the InChIKey of 4-(4-fluoropyrazol-1-yl)-2-methylquinoline?
The InChIKey is GIRGICGILOGATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-9-6-13(17-8-10(14)7-15-17)11-4-2-3-5-12(11)16-9/h2-8H,1H3.
What are the key properties of 4-(4-fluoropyrazol-1-yl)-2-methylquinoline?
4-(4-fluoropyrazol-1-yl)-2-methylquinoline has a molecular weight of 227.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropyrazol-1-yl)-2-methylquinoline is sourced from PubChem (CID 141419462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).