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

C15H19N3O — CID 121385700

IUPAC3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCOC1Cc2cc(-c3cnn(C)c3)ccc2N(C)C1
InChIInChI=1S/C15H19N3O/c1-17-10-14(19-3)7-12-6-11(4-5-15(12)17)13-8-16-18(2)9-13/h4-6,8-9,14H,7,10H2,1-3H3
InChIKeyFTDYKUTYVISOGW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.09
Rot. Bonds2

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

3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 121385700) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID121385700
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCOC1Cc2cc(-c3cnn(C)c3)ccc2N(C)C1
InChIInChI=1S/C15H19N3O/c1-17-10-14(19-3)7-12-6-11(4-5-15(12)17)13-8-16-18(2)9-13/h4-6,8-9,14H,7,10H2,1-3H3
InChIKeyFTDYKUTYVISOGW-UHFFFAOYSA-N
XLogP2.09
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-ethynyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398485
1,3-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;heptane
CID 145105875
[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol
CID 145091312
(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121372758
(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382739
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382706
6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382684
acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091659
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 166844202
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (CID 121385700) is 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is COC1Cc2cc(-c3cnn(C)c3)ccc2N(C)C1.
What is the InChIKey of 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is FTDYKUTYVISOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-10-14(19-3)7-12-6-11(4-5-15(12)17)13-8-16-18(2)9-13/h4-6,8-9,14H,7,10H2,1-3H3.
What are the key properties of 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 257.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121385700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).