8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline

C20H15Cl2FN4O — CID 59484536

IUPAC8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline
SMILESCn1nccc1-c1cc(CF)nc2c(OCc3c(Cl)cncc3Cl)cccc12
InChIInChI=1S/C20H15Cl2FN4O/c1-27-18(5-6-25-27)14-7-12(8-23)26-20-13(14)3-2-4-19(20)28-11-15-16(21)9-24-10-17(15)22/h2-7,9-10H,8,11H2,1H3
InChIKeyZIVBNDDKTOYHKY-UHFFFAOYSA-N
MW417.27 g/mol
LogP5.39
Rot. Bonds5

About 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline

8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline (PubChem CID 59484536) has the molecular formula C20H15Cl2FN4O and a molecular weight of 417.27 g/mol. Its IUPAC name is 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline.

Molecular Properties

Compound Name8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline
PubChem CID59484536
Molecular FormulaC20H15Cl2FN4O
Molecular Weight417.27 g/mol
Exact Mass416.06
IUPAC Name8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline
SMILESCn1nccc1-c1cc(CF)nc2c(OCc3c(Cl)cncc3Cl)cccc12
InChIInChI=1S/C20H15Cl2FN4O/c1-27-18(5-6-25-27)14-7-12(8-23)26-20-13(14)3-2-4-19(20)28-11-15-16(21)9-24-10-17(15)22/h2-7,9-10H,8,11H2,1H3
InChIKeyZIVBNDDKTOYHKY-UHFFFAOYSA-N
XLogP5.39
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.27
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[3-chloro-5-(chloromethyl)-4-pyridinyl]methoxy]-2-methyl-4-(2-methylpyrazol-3-yl)quinoline
CID 67077254
1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl acetate
CID 59484174
[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol
CID 59484341
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 59484307
2-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)ethanol
CID 71053251
5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one
CID 59484559
1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate
CID 59484225
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 59484539
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 89229012
1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-oxopyridine-4-carbonitrile
CID 59484131
1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 59484112
2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide
CID 59484079

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline?
The IUPAC name of 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline (CID 59484536) is 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline.
What is the SMILES notation for 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline?
The canonical SMILES for 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline is Cn1nccc1-c1cc(CF)nc2c(OCc3c(Cl)cncc3Cl)cccc12.
What is the InChIKey of 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline?
The InChIKey is ZIVBNDDKTOYHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN4O/c1-27-18(5-6-25-27)14-7-12(8-23)26-20-13(14)3-2-4-19(20)28-11-15-16(21)9-24-10-17(15)22/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline?
8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline has a molecular weight of 417.27 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline is sourced from PubChem (CID 59484536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).