(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone

C23H18F5N3O4 — CID 164798402

IUPAC(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(F)c(C(=O)N3CCOC[C@@H]3c3ccc(F)c(OC(F)(F)F)c3)cc2c2c1COC2
InChIInChI=1S/C23H18F5N3O4/c24-16-2-1-11(5-20(16)35-23(26,27)28)19-10-33-4-3-31(19)22(32)13-6-12-14-8-34-9-15(14)21(29)30-18(12)7-17(13)25/h1-2,5-7,19H,3-4,8-10H2,(H2,29,30)/t19-/m1/s1
InChIKeyOCESDHMWPFLCKM-LJQANCHMSA-N
MW495.40 g/mol
LogP4.24
Rot. Bonds3

About (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (PubChem CID 164798402) has the molecular formula C23H18F5N3O4 and a molecular weight of 495.40 g/mol. Its IUPAC name is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
PubChem CID164798402
Molecular FormulaC23H18F5N3O4
Molecular Weight495.40 g/mol
Exact Mass495.12
IUPAC Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(F)c(C(=O)N3CCOC[C@@H]3c3ccc(F)c(OC(F)(F)F)c3)cc2c2c1COC2
InChIInChI=1S/C23H18F5N3O4/c24-16-2-1-11(5-20(16)35-23(26,27)28)19-10-33-4-3-31(19)22(32)13-6-12-14-8-34-9-15(14)21(29)30-18(12)7-17(13)25/h1-2,5-7,19H,3-4,8-10H2,(H2,29,30)/t19-/m1/s1
InChIKeyOCESDHMWPFLCKM-LJQANCHMSA-N
XLogP4.24
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-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)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (CID 164798402) is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is Nc1nc2cc(F)c(C(=O)N3CCOC[C@@H]3c3ccc(F)c(OC(F)(F)F)c3)cc2c2c1COC2.
What is the InChIKey of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The InChIKey is OCESDHMWPFLCKM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18F5N3O4/c24-16-2-1-11(5-20(16)35-23(26,27)28)19-10-33-4-3-31(19)22(32)13-6-12-14-8-34-9-15(14)21(29)30-18(12)7-17(13)25/h1-2,5-7,19H,3-4,8-10H2,(H2,29,30)/t19-/m1/s1.
What are the key properties of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone has a molecular weight of 495.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).