(5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one

C24H19ClF2N4O3 — CID 155319336

IUPAC(5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one
SMILESCc1cc(-n2cc(F)cn2)c2cccc(OCc3c(Cl)cc(F)cc3[C@@H]3COCC(=O)N3)c2n1
InChIInChI=1S/C24H19ClF2N4O3/c1-13-5-21(31-9-15(27)8-28-31)16-3-2-4-22(24(16)29-13)34-10-18-17(6-14(26)7-19(18)25)20-11-33-12-23(32)30-20/h2-9,20H,10-12H2,1H3,(H,30,32)/t20-/m0/s1
InChIKeyXBVMUUUEBNZIAK-FQEVSTJZSA-N
MW484.89 g/mol
LogP4.43
Rot. Bonds5

About (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one

(5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one (PubChem CID 155319336) has the molecular formula C24H19ClF2N4O3 and a molecular weight of 484.89 g/mol. Its IUPAC name is (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name(5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one
PubChem CID155319336
Molecular FormulaC24H19ClF2N4O3
Molecular Weight484.89 g/mol
Exact Mass484.11
IUPAC Name(5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one
SMILESCc1cc(-n2cc(F)cn2)c2cccc(OCc3c(Cl)cc(F)cc3[C@@H]3COCC(=O)N3)c2n1
InChIInChI=1S/C24H19ClF2N4O3/c1-13-5-21(31-9-15(27)8-28-31)16-3-2-4-22(24(16)29-13)34-10-18-17(6-14(26)7-19(18)25)20-11-33-12-23(32)30-20/h2-9,20H,10-12H2,1H3,(H,30,32)/t20-/m0/s1
InChIKeyXBVMUUUEBNZIAK-FQEVSTJZSA-N
XLogP4.43
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.89
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]ethyl]piperazin-2-one
CID 162715385
(5R)-1-[1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]ethyl]-4,5-dimethylpiperazine-2,3-dione
CID 175200412
(3R)-N-[(1S)-1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]ethyl]-3-hydroxybutanamide
CID 138661294
N-[(1S)-1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]propyl]-2-hydroxyacetamide
CID 138661050
N-[1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]ethyl]-2-hydroxy-N-methylpropanamide
CID 155045638
CID 174022082
CID 174022082
N-[[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]methyl]-2,3-dihydroxypropanamide
CID 138660850
(2R)-N-[(1S)-1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]propyl]-2-hydroxypropanamide
CID 138661048
N-[(1S)-1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]ethyl]-2,3-dihydroxypropanamide
CID 155045665
N-[(1S)-1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 138660860
N-[(1R)-1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]-2-hydroxyethyl]-2-(difluoromethoxy)acetamide
CID 138661841
[3-[[(1S)-1-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]ethyl]amino]-3-oxopropyl]-hydroxycarbamic acid
CID 155045654

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one?
The IUPAC name of (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one (CID 155319336) is (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one.
What is the SMILES notation for (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one?
The canonical SMILES for (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one is Cc1cc(-n2cc(F)cn2)c2cccc(OCc3c(Cl)cc(F)cc3[C@@H]3COCC(=O)N3)c2n1.
What is the InChIKey of (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one?
The InChIKey is XBVMUUUEBNZIAK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H19ClF2N4O3/c1-13-5-21(31-9-15(27)8-28-31)16-3-2-4-22(24(16)29-13)34-10-18-17(6-14(26)7-19(18)25)20-11-33-12-23(32)30-20/h2-9,20H,10-12H2,1H3,(H,30,32)/t20-/m0/s1.
What are the key properties of (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one?
(5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one has a molecular weight of 484.89 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]morpholin-3-one is sourced from PubChem (CID 155319336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).