N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide

C27H37F2N3O3 — CID 11511490

IUPACN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1CCN(CCO)c2ccc(CC(C)C)cc21
InChIInChI=1S/C27H37F2N3O3/c1-17(2)10-19-4-5-26-23(13-19)24(6-7-32(26)8-9-33)30-16-27(35)25(31-18(3)34)14-20-11-21(28)15-22(29)12-20/h4-5,11-13,15,17,24-25,27,30,33,35H,6-10,14,16H2,1-3H3,(H,31,34)
InChIKeyWDENNFJVUQCSLK-UHFFFAOYSA-N
MW489.61 g/mol
LogP3.10
Rot. Bonds11

About N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide

N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide (PubChem CID 11511490) has the molecular formula C27H37F2N3O3 and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide
PubChem CID11511490
Molecular FormulaC27H37F2N3O3
Molecular Weight489.61 g/mol
Exact Mass489.28
IUPAC NameN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1CCN(CCO)c2ccc(CC(C)C)cc21
InChIInChI=1S/C27H37F2N3O3/c1-17(2)10-19-4-5-26-23(13-19)24(6-7-32(26)8-9-33)30-16-27(35)25(31-18(3)34)14-20-11-21(28)15-22(29)12-20/h4-5,11-13,15,17,24-25,27,30,33,35H,6-10,14,16H2,1-3H3,(H,31,34)
InChIKeyWDENNFJVUQCSLK-UHFFFAOYSA-N
XLogP3.10
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide (CID 11511490) is N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1CCN(CCO)c2ccc(CC(C)C)cc21.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide?
The InChIKey is WDENNFJVUQCSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F2N3O3/c1-17(2)10-19-4-5-26-23(13-19)24(6-7-32(26)8-9-33)30-16-27(35)25(31-18(3)34)14-20-11-21(28)15-22(29)12-20/h4-5,11-13,15,17,24-25,27,30,33,35H,6-10,14,16H2,1-3H3,(H,31,34).
What are the key properties of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide?
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide has a molecular weight of 489.61 g/mol, XLogP of 3.10, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(2-hydroxyethyl)-6-(2-methylpropyl)-3,4-dihydro-2H-quinolin-4-yl]amino]butan-2-yl]acetamide is sourced from PubChem (CID 11511490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).