5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

C14H16FN3 — CID 121385888

IUPAC5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2c1ccc(-c1cnn(C)c1)c2F
InChIInChI=1S/C14H16FN3/c1-17-7-3-4-12-13(17)6-5-11(14(12)15)10-8-16-18(2)9-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNIDFUUCFUYPJLE-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.61
Rot. Bonds1

About 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 121385888) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID121385888
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2c1ccc(-c1cnn(C)c1)c2F
InChIInChI=1S/C14H16FN3/c1-17-7-3-4-12-13(17)6-5-11(14(12)15)10-8-16-18(2)9-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNIDFUUCFUYPJLE-UHFFFAOYSA-N
XLogP2.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385724
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385729
6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385606
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420
7-cyclopropyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121372752
1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 121385853
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
CID 121383013
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
acetylene;1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;octane
CID 145091183
3-fluoro-4-(1-methylpyrazol-4-yl)benzoic acid;methyl 3-fluoro-4-(1-methylpyrazol-4-yl)benzoate
CID 162091971
acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 145091106
5-bromo-4-fluoro-1-methyl-2,3-dihydroindole
CID 139398741

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (CID 121385888) is 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is CN1CCCc2c1ccc(-c1cnn(C)c1)c2F.
What is the InChIKey of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is NIDFUUCFUYPJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-17-7-3-4-12-13(17)6-5-11(14(12)15)10-8-16-18(2)9-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 245.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121385888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).