(4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C23H19F4N3O3 — CID 164536927

IUPAC(4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(F)c(C(=O)N3CCOC[C@@H]3c3ccc(C(F)(F)F)cc3)cc2c2c1CCO2
InChIInChI=1S/C23H19F4N3O3/c24-17-10-18-16(20-14(5-7-33-20)21(28)29-18)9-15(17)22(31)30-6-8-32-11-19(30)12-1-3-13(4-2-12)23(25,26)27/h1-4,9-10,19H,5-8,11H2,(H2,28,29)/t19-/m1/s1
InChIKeyOAQZFQOXCHAWFM-LJQANCHMSA-N
MW461.42 g/mol
LogP4.12
Rot. Bonds2

About (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

(4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 164536927) has the molecular formula C23H19F4N3O3 and a molecular weight of 461.42 g/mol. Its IUPAC name is (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID164536927
Molecular FormulaC23H19F4N3O3
Molecular Weight461.42 g/mol
Exact Mass461.14
IUPAC Name(4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(F)c(C(=O)N3CCOC[C@@H]3c3ccc(C(F)(F)F)cc3)cc2c2c1CCO2
InChIInChI=1S/C23H19F4N3O3/c24-17-10-18-16(20-14(5-7-33-20)21(28)29-18)9-15(17)22(31)30-6-8-32-11-19(30)12-1-3-13(4-2-12)23(25,26)27/h1-4,9-10,19H,5-8,11H2,(H2,28,29)/t19-/m1/s1
InChIKeyOAQZFQOXCHAWFM-LJQANCHMSA-N
XLogP4.12
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 164536927) is (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is Nc1nc2cc(F)c(C(=O)N3CCOC[C@@H]3c3ccc(C(F)(F)F)cc3)cc2c2c1CCO2.
What is the InChIKey of (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is OAQZFQOXCHAWFM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H19F4N3O3/c24-17-10-18-16(20-14(5-7-33-20)21(28)29-18)9-15(17)22(31)30-6-8-32-11-19(30)12-1-3-13(4-2-12)23(25,26)27/h1-4,9-10,19H,5-8,11H2,(H2,28,29)/t19-/m1/s1.
What are the key properties of (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 461.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164536927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).