(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone

C23H24FN5O4 — CID 164798416

IUPAC(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
SMILESCCOc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c4c(c(N)nc3cc2F)COC4)nn1
InChIInChI=1S/C23H24FN5O4/c1-3-33-21-5-4-18(27-28-21)20-11-31-8-12(2)29(20)23(30)14-6-13-15-9-32-10-16(15)22(25)26-19(13)7-17(14)24/h4-7,12,20H,3,8-11H2,1-2H3,(H2,25,26)/t12-,20-/m1/s1
InChIKeyZNSYQWNBTUVJLU-MPBGBICISA-N
MW453.47 g/mol
LogP2.78
Rot. Bonds4

About (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone (PubChem CID 164798416) has the molecular formula C23H24FN5O4 and a molecular weight of 453.47 g/mol. Its IUPAC name is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
PubChem CID164798416
Molecular FormulaC23H24FN5O4
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
SMILESCCOc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c4c(c(N)nc3cc2F)COC4)nn1
InChIInChI=1S/C23H24FN5O4/c1-3-33-21-5-4-18(27-28-21)20-11-31-8-12(2)29(20)23(30)14-6-13-15-9-32-10-16(15)22(25)26-19(13)7-17(14)24/h4-7,12,20H,3,8-11H2,1-2H3,(H2,25,26)/t12-,20-/m1/s1
InChIKeyZNSYQWNBTUVJLU-MPBGBICISA-N
XLogP2.78
TPSA112.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone (CID 164798416) is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone is CCOc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c4c(c(N)nc3cc2F)COC4)nn1.
What is the InChIKey of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is ZNSYQWNBTUVJLU-MPBGBICISA-N. The full InChI is InChI=1S/C23H24FN5O4/c1-3-33-21-5-4-18(27-28-21)20-11-31-8-12(2)29(20)23(30)14-6-13-15-9-32-10-16(15)22(25)26-19(13)7-17(14)24/h4-7,12,20H,3,8-11H2,1-2H3,(H2,25,26)/t12-,20-/m1/s1.
What are the key properties of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 453.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 164798416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).