1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

C23H23FN4O4 — CID 20748487

IUPAC1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
SMILESCNc1cc(COc2ccc(CC3(C(N)=O)CC3C(=O)NO)cc2F)c2ccccc2n1
InChIInChI=1S/C23H23FN4O4/c1-26-20-9-14(15-4-2-3-5-18(15)27-20)12-32-19-7-6-13(8-17(19)24)10-23(22(25)30)11-16(23)21(29)28-31/h2-9,16,31H,10-12H2,1H3,(H2,25,30)(H,26,27)(H,28,29)
InChIKeyQMSQXOQMJJNFQO-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.53
Rot. Bonds8

About 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide (PubChem CID 20748487) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
PubChem CID20748487
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
SMILESCNc1cc(COc2ccc(CC3(C(N)=O)CC3C(=O)NO)cc2F)c2ccccc2n1
InChIInChI=1S/C23H23FN4O4/c1-26-20-9-14(15-4-2-3-5-18(15)27-20)12-32-19-7-6-13(8-17(19)24)10-23(22(25)30)11-16(23)21(29)28-31/h2-9,16,31H,10-12H2,1H3,(H2,25,30)(H,26,27)(H,28,29)
InChIKeyQMSQXOQMJJNFQO-UHFFFAOYSA-N
XLogP2.53
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 20748502
cis-(1R,2S)-1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[3-fluoro-4-[(2-morpholin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-[[3-fluoro-4-[(2-pyrrolidin-1-ylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 159333273
1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 20748498
methyl 1-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 20748744
cis-methyl (1R,2S)-1-[[3-fluoro-4-[(2-morpholin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 59978398
cis-(1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 44581138
trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 10151290
2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 20748602
cis-(1R,2S)-1-N-tert-butyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 59978422
cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 157417532
cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide
CID 158891631
trans-methyl (1S,2S)-1-[3-fluoro-4-[(2-pyrrolidin-1-ylquinolin-4-yl)methoxy]phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 10310988

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide (CID 20748487) is 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide is CNc1cc(COc2ccc(CC3(C(N)=O)CC3C(=O)NO)cc2F)c2ccccc2n1.
What is the InChIKey of 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The InChIKey is QMSQXOQMJJNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-26-20-9-14(15-4-2-3-5-18(15)27-20)12-32-19-7-6-13(8-17(19)24)10-23(22(25)30)11-16(23)21(29)28-31/h2-9,16,31H,10-12H2,1H3,(H2,25,30)(H,26,27)(H,28,29).
What are the key properties of 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 20748487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).