8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile

C23H18F5N3O3 — CID 66969017

IUPAC8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile
SMILESCCC1CC(O)(C(F)(F)F)C(Nc2ccc(F)c3[nH]c(=O)ccc23)c2cc(F)c(C#N)c(O)c21
InChIInChI=1S/C23H18F5N3O3/c1-2-10-8-22(34,23(26,27)28)21(12-7-15(25)13(9-29)20(33)18(10)12)30-16-5-4-14(24)19-11(16)3-6-17(32)31-19/h3-7,10,21,30,33-34H,2,8H2,1H3,(H,31,32)
InChIKeyDHAOJPZSENQJOK-UHFFFAOYSA-N
MW479.41 g/mol
LogP4.73
Rot. Bonds3

About 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile

8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile (PubChem CID 66969017) has the molecular formula C23H18F5N3O3 and a molecular weight of 479.41 g/mol. Its IUPAC name is 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile
PubChem CID66969017
Molecular FormulaC23H18F5N3O3
Molecular Weight479.41 g/mol
Exact Mass479.13
IUPAC Name8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile
SMILESCCC1CC(O)(C(F)(F)F)C(Nc2ccc(F)c3[nH]c(=O)ccc23)c2cc(F)c(C#N)c(O)c21
InChIInChI=1S/C23H18F5N3O3/c1-2-10-8-22(34,23(26,27)28)21(12-7-15(25)13(9-29)20(33)18(10)12)30-16-5-4-14(24)19-11(16)3-6-17(32)31-19/h3-7,10,21,30,33-34H,2,8H2,1H3,(H,31,32)
InChIKeyDHAOJPZSENQJOK-UHFFFAOYSA-N
XLogP4.73
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile?
The IUPAC name of 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile (CID 66969017) is 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile.
What is the SMILES notation for 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile?
The canonical SMILES for 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile is CCC1CC(O)(C(F)(F)F)C(Nc2ccc(F)c3[nH]c(=O)ccc23)c2cc(F)c(C#N)c(O)c21.
What is the InChIKey of 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile?
The InChIKey is DHAOJPZSENQJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N3O3/c1-2-10-8-22(34,23(26,27)28)21(12-7-15(25)13(9-29)20(33)18(10)12)30-16-5-4-14(24)19-11(16)3-6-17(32)31-19/h3-7,10,21,30,33-34H,2,8H2,1H3,(H,31,32).
What are the key properties of 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile?
8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile has a molecular weight of 479.41 g/mol, XLogP of 4.73, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-fluoro-5-[(8-fluoro-2-oxo-1H-quinolin-5-yl)amino]-1,6-dihydroxy-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-2-carbonitrile is sourced from PubChem (CID 66969017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).