2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine

C24H31F3N6O2 — CID 155152110

IUPAC2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine
SMILESCCCC1=C(C)c2c(c(OCCN(C)CCOC)cc3[nH]ncc23)NC1c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C24H31F3N6O2/c1-5-6-15-14(2)20-16-12-28-31-18(16)11-19(35-10-8-33(3)7-9-34-4)22(20)30-21(15)17-13-29-32-23(17)24(25,26)27/h11-13,21,30H,5-10H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyXKKXINZKEAUBDU-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.00
Rot. Bonds10

About 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine

2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine (PubChem CID 155152110) has the molecular formula C24H31F3N6O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine
PubChem CID155152110
Molecular FormulaC24H31F3N6O2
Molecular Weight492.55 g/mol
Exact Mass492.25
IUPAC Name2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine
SMILESCCCC1=C(C)c2c(c(OCCN(C)CCOC)cc3[nH]ncc23)NC1c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C24H31F3N6O2/c1-5-6-15-14(2)20-16-12-28-31-18(16)11-19(35-10-8-33(3)7-9-34-4)22(20)30-21(15)17-13-29-32-23(17)24(25,26)27/h11-13,21,30H,5-10H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyXKKXINZKEAUBDU-UHFFFAOYSA-N
XLogP5.00
TPSA91.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine (CID 155152110) is 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine is CCCC1=C(C)c2c(c(OCCN(C)CCOC)cc3[nH]ncc23)NC1c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine?
The InChIKey is XKKXINZKEAUBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O2/c1-5-6-15-14(2)20-16-12-28-31-18(16)11-19(35-10-8-33(3)7-9-34-4)22(20)30-21(15)17-13-29-32-23(17)24(25,26)27/h11-13,21,30H,5-10H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine?
2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine has a molecular weight of 492.55 g/mol, XLogP of 5.00, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[2-[[9-methyl-8-propyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine is sourced from PubChem (CID 155152110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).