cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide

C30H28FN3O4 — CID 44580801

IUPACcis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO
InChIInChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1
InChIKeyQCSQWZYXJSYMSJ-DJUQAAIZSA-N
MW513.57 g/mol
LogP4.76
Rot. Bonds8

About cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide

cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide (PubChem CID 44580801) has the molecular formula C30H28FN3O4 and a molecular weight of 513.57 g/mol. Its IUPAC name is cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
PubChem CID44580801
Molecular FormulaC30H28FN3O4
Molecular Weight513.57 g/mol
Exact Mass513.21
IUPAC Namecis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO
InChIInChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1
InChIKeyQCSQWZYXJSYMSJ-DJUQAAIZSA-N
XLogP4.76
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide (CID 44580801) is cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide is CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO.
What is the InChIKey of cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The InChIKey is QCSQWZYXJSYMSJ-DJUQAAIZSA-N. The full InChI is InChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1.
What are the key properties of cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide has a molecular weight of 513.57 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-[[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxy-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 44580801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).