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

C23H18ClF4N3O3 — CID 164798528

IUPAC(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CCOC[C@H]3c3ccc(F)c(C(F)(F)F)c3)cc2c2c1COC2
InChIInChI=1S/C23H18ClF4N3O3/c24-17-7-19-12(14-8-34-9-15(14)21(29)30-19)6-13(17)22(32)31-3-4-33-10-20(31)11-1-2-18(25)16(5-11)23(26,27)28/h1-2,5-7,20H,3-4,8-10H2,(H2,29,30)/t20-/m0/s1
InChIKeyIECCUMJUOHACCO-FQEVSTJZSA-N
MW495.86 g/mol
LogP4.87
Rot. Bonds2

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

(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 164798528) has the molecular formula C23H18ClF4N3O3 and a molecular weight of 495.86 g/mol. Its IUPAC name is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID164798528
Molecular FormulaC23H18ClF4N3O3
Molecular Weight495.86 g/mol
Exact Mass495.10
IUPAC Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CCOC[C@H]3c3ccc(F)c(C(F)(F)F)c3)cc2c2c1COC2
InChIInChI=1S/C23H18ClF4N3O3/c24-17-7-19-12(14-8-34-9-15(14)21(29)30-19)6-13(17)22(32)31-3-4-33-10-20(31)11-1-2-18(25)16(5-11)23(26,27)28/h1-2,5-7,20H,3-4,8-10H2,(H2,29,30)/t20-/m0/s1
InChIKeyIECCUMJUOHACCO-FQEVSTJZSA-N
XLogP4.87
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.86
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798798
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone
CID 164798401
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798509
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798460
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798589
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
CID 164798502
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-(4-methylphenyl)morpholin-4-yl]methanone
CID 175509214
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone
CID 164798691
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798385
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-(difluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798559
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]morpholin-4-yl]methanone
CID 164798620
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798578

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 164798528) is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is Nc1nc2cc(Cl)c(C(=O)N3CCOC[C@H]3c3ccc(F)c(C(F)(F)F)c3)cc2c2c1COC2.
What is the InChIKey of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is IECCUMJUOHACCO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H18ClF4N3O3/c24-17-7-19-12(14-8-34-9-15(14)21(29)30-19)6-13(17)22(32)31-3-4-33-10-20(31)11-1-2-18(25)16(5-11)23(26,27)28/h1-2,5-7,20H,3-4,8-10H2,(H2,29,30)/t20-/m0/s1.
What are the key properties of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 495.86 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 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-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).