N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine

C24H24N4O2 — CID 42594754

IUPACN-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine
SMILESCN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)Cc1cccc2ncccc12
InChIInChI=1S/C24H24N4O2/c1-27(14-18-5-3-7-21-20(18)6-4-10-25-21)15-19-16-28(2)26-24(19)17-8-9-22-23(13-17)30-12-11-29-22/h3-10,13,16H,11-12,14-15H2,1-2H3
InChIKeyPZHXHZYDODJADN-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.04
Rot. Bonds5

About N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine

N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 42594754) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine
PubChem CID42594754
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine
SMILESCN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)Cc1cccc2ncccc12
InChIInChI=1S/C24H24N4O2/c1-27(14-18-5-3-7-21-20(18)6-4-10-25-21)15-19-16-28(2)26-24(19)17-8-9-22-23(13-17)30-12-11-29-22/h3-10,13,16H,11-12,14-15H2,1-2H3
InChIKeyPZHXHZYDODJADN-UHFFFAOYSA-N
XLogP4.04
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
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
Coralyne chloride
CID 23306
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
Coralyne
CID 23307
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
Pyrazole, 17
CID 11668015
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine (CID 42594754) is N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine is CN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)Cc1cccc2ncccc12.
What is the InChIKey of N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is PZHXHZYDODJADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-27(14-18-5-3-7-21-20(18)6-4-10-25-21)15-19-16-28(2)26-24(19)17-8-9-22-23(13-17)30-12-11-29-22/h3-10,13,16H,11-12,14-15H2,1-2H3.
What are the key properties of N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine?
N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine has a molecular weight of 400.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 42594754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).