1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol

C24H37F3N4O3 — CID 71202653

IUPAC1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol
SMILESCC(O)CN(CCN(C)CCN(CC(C)O)c1ccnc2cc(C(F)(F)F)ccc12)CC(C)O
InChIInChI=1S/C24H37F3N4O3/c1-17(32)14-30(15-18(2)33)11-9-29(4)10-12-31(16-19(3)34)23-7-8-28-22-13-20(24(25,26)27)5-6-21(22)23/h5-8,13,17-19,32-34H,9-12,14-16H2,1-4H3
InChIKeyJCNCAZQWDUPDAS-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.44
Rot. Bonds13

About 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol

1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol (PubChem CID 71202653) has the molecular formula C24H37F3N4O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol
PubChem CID71202653
Molecular FormulaC24H37F3N4O3
Molecular Weight486.58 g/mol
Exact Mass486.28
IUPAC Name1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol
SMILESCC(O)CN(CCN(C)CCN(CC(C)O)c1ccnc2cc(C(F)(F)F)ccc12)CC(C)O
InChIInChI=1S/C24H37F3N4O3/c1-17(32)14-30(15-18(2)33)11-9-29(4)10-12-31(16-19(3)34)23-7-8-28-22-13-20(24(25,26)27)5-6-21(22)23/h5-8,13,17-19,32-34H,9-12,14-16H2,1-4H3
InChIKeyJCNCAZQWDUPDAS-UHFFFAOYSA-N
XLogP2.44
TPSA83.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol (CID 71202653) is 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol is CC(O)CN(CCN(C)CCN(CC(C)O)c1ccnc2cc(C(F)(F)F)ccc12)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol?
The InChIKey is JCNCAZQWDUPDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F3N4O3/c1-17(32)14-30(15-18(2)33)11-9-29(4)10-12-31(16-19(3)34)23-7-8-28-22-13-20(24(25,26)27)5-6-21(22)23/h5-8,13,17-19,32-34H,9-12,14-16H2,1-4H3.
What are the key properties of 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol?
1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol has a molecular weight of 486.58 g/mol, XLogP of 2.44, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl-[2-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl-methylamino]ethyl]amino]propan-2-ol is sourced from PubChem (CID 71202653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).