(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

C23H19ClF3N3O3 — CID 164798371

IUPAC(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CC[C@@](O)(c4ccc(C(F)(F)F)cc4)C3)cc2c2c1COC2
InChIInChI=1S/C23H19ClF3N3O3/c24-18-8-19-14(16-9-33-10-17(16)20(28)29-19)7-15(18)21(31)30-6-5-22(32,11-30)12-1-3-13(4-2-12)23(25,26)27/h1-4,7-8,32H,5-6,9-11H2,(H2,28,29)/t22-/m0/s1
InChIKeyNTYDAAKWQBCADH-QFIPXVFZSA-N
MW477.87 g/mol
LogP4.25
Rot. Bonds2

About (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 164798371) has the molecular formula C23H19ClF3N3O3 and a molecular weight of 477.87 g/mol. Its IUPAC name is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID164798371
Molecular FormulaC23H19ClF3N3O3
Molecular Weight477.87 g/mol
Exact Mass477.11
IUPAC Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CC[C@@](O)(c4ccc(C(F)(F)F)cc4)C3)cc2c2c1COC2
InChIInChI=1S/C23H19ClF3N3O3/c24-18-8-19-14(16-9-33-10-17(16)20(28)29-19)7-15(18)21(31)30-6-5-22(32,11-30)12-1-3-13(4-2-12)23(25,26)27/h1-4,7-8,32H,5-6,9-11H2,(H2,28,29)/t22-/m0/s1
InChIKeyNTYDAAKWQBCADH-QFIPXVFZSA-N
XLogP4.25
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.87
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 164798371) is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is Nc1nc2cc(Cl)c(C(=O)N3CC[C@@](O)(c4ccc(C(F)(F)F)cc4)C3)cc2c2c1COC2.
What is the InChIKey of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is NTYDAAKWQBCADH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19ClF3N3O3/c24-18-8-19-14(16-9-33-10-17(16)20(28)29-19)7-15(18)21(31)30-6-5-22(32,11-30)12-1-3-13(4-2-12)23(25,26)27/h1-4,7-8,32H,5-6,9-11H2,(H2,28,29)/t22-/m0/s1.
What are the key properties of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 477.87 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164798371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).