(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone

C22H19ClF5N3O3S — CID 164798401

IUPAC(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CCOC[C@@H]3c3ccc(S(F)(F)(F)(F)F)cc3)cc2c2c1COC2
InChIInChI=1S/C22H19ClF5N3O3S/c23-18-8-19-14(16-9-34-10-17(16)21(29)30-19)7-15(18)22(32)31-5-6-33-11-20(31)12-1-3-13(4-2-12)35(24,25,26,27)28/h1-4,7-8,20H,5-6,9-11H2,(H2,29,30)/t20-/m1/s1
InChIKeyRXPYZZJEOACANN-HXUWFJFHSA-N
MW535.92 g/mol
LogP6.37
Rot. Bonds3

About (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone

(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone (PubChem CID 164798401) has the molecular formula C22H19ClF5N3O3S and a molecular weight of 535.92 g/mol. Its IUPAC name is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone
PubChem CID164798401
Molecular FormulaC22H19ClF5N3O3S
Molecular Weight535.92 g/mol
Exact Mass535.08
IUPAC Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CCOC[C@@H]3c3ccc(S(F)(F)(F)(F)F)cc3)cc2c2c1COC2
InChIInChI=1S/C22H19ClF5N3O3S/c23-18-8-19-14(16-9-34-10-17(16)21(29)30-19)7-15(18)22(32)31-5-6-33-11-20(31)12-1-3-13(4-2-12)35(24,25,26,27)28/h1-4,7-8,20H,5-6,9-11H2,(H2,29,30)/t20-/m1/s1
InChIKeyRXPYZZJEOACANN-HXUWFJFHSA-N
XLogP6.37
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.92
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(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
(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
(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]quinolin-8-yl)-[(3R)-3-[4-(difluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798559
(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-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-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][1,7]naphthyridin-8-yl)-[(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798492
4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
CID 163383514
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(5-bromo-2-pyridinyl)morpholin-4-yl]methanone
CID 164798767
6-[(3S)-4-(4-amino-1,3-dihydrofuro[3,4-c]quinoline-8-carbonyl)morpholin-3-yl]pyridine-3-carbonitrile
CID 164798713

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (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) is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone is Nc1nc2cc(Cl)c(C(=O)N3CCOC[C@@H]3c3ccc(S(F)(F)(F)(F)F)cc3)cc2c2c1COC2.
What is the InChIKey of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is RXPYZZJEOACANN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19ClF5N3O3S/c23-18-8-19-14(16-9-34-10-17(16)21(29)30-19)7-15(18)22(32)31-5-6-33-11-20(31)12-1-3-13(4-2-12)35(24,25,26,27)28/h1-4,7-8,20H,5-6,9-11H2,(H2,29,30)/t20-/m1/s1.
What are the key properties of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone?
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 535.92 g/mol, XLogP of 6.37, 3 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)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).