7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline

C19H14F2N4O — CID 162760861

IUPAC7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline
SMILESCOc1cc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc2cc1F
InChIInChI=1S/C19H14F2N4O/c1-25-10-14(19(24-25)16-4-3-11(20)9-23-16)12-5-6-22-17-8-15(21)18(26-2)7-13(12)17/h3-10H,1-2H3
InChIKeyAOJAFGRKEFBCLT-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.98
Rot. Bonds3

About 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline

7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline (PubChem CID 162760861) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline.

Molecular Properties

Compound Name7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline
PubChem CID162760861
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline
SMILESCOc1cc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc2cc1F
InChIInChI=1S/C19H14F2N4O/c1-25-10-14(19(24-25)16-4-3-11(20)9-23-16)12-5-6-22-17-8-15(21)18(26-2)7-13(12)17/h3-10H,1-2H3
InChIKeyAOJAFGRKEFBCLT-UHFFFAOYSA-N
XLogP3.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
Mardepodect hydrochloride
CID 122412737
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
Dihydropyrrolopyrazole, 16a
CID 21992654
Dihydropyrrolopyrazole, 7f
CID 21992672
4-{4-[6-(2-Methoxyethoxy)quinolin-2-Yl]-1h-1,2,3-Triazol-1-Yl}phenol
CID 90684377
4-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11604203

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline?
The IUPAC name of 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline (CID 162760861) is 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline.
What is the SMILES notation for 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline?
The canonical SMILES for 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline is COc1cc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc2cc1F.
What is the InChIKey of 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline?
The InChIKey is AOJAFGRKEFBCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-25-10-14(19(24-25)16-4-3-11(20)9-23-16)12-5-6-22-17-8-15(21)18(26-2)7-13(12)17/h3-10H,1-2H3.
What are the key properties of 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline?
7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline has a molecular weight of 352.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methoxyquinoline is sourced from PubChem (CID 162760861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).