1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

C24H25FN4O4 — CID 20748502

IUPAC1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
SMILESCN(C)c1cc(COc2ccc(CC3(C(N)=O)CC3C(=O)NO)cc2F)c2ccccc2n1
InChIInChI=1S/C24H25FN4O4/c1-29(2)21-10-15(16-5-3-4-6-19(16)27-21)13-33-20-8-7-14(9-18(20)25)11-24(23(26)31)12-17(24)22(30)28-32/h3-10,17,32H,11-13H2,1-2H3,(H2,26,31)(H,28,30)
InChIKeyUQQFQLYSMNKWLR-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.56
Rot. Bonds8

About 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide (PubChem CID 20748502) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
PubChem CID20748502
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
SMILESCN(C)c1cc(COc2ccc(CC3(C(N)=O)CC3C(=O)NO)cc2F)c2ccccc2n1
InChIInChI=1S/C24H25FN4O4/c1-29(2)21-10-15(16-5-3-4-6-19(16)27-21)13-33-20-8-7-14(9-18(20)25)11-24(23(26)31)12-17(24)22(30)28-32/h3-10,17,32H,11-13H2,1-2H3,(H2,26,31)(H,28,30)
InChIKeyUQQFQLYSMNKWLR-UHFFFAOYSA-N
XLogP2.56
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.56
H-Bond Donors ≤ 53
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-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

1-[[3-fluoro-4-[[2-(methylamino)quinolin-4-yl]methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 20748487
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-(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
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
2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 20748602
trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 10151290
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
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
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-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide (CID 20748502) is 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide is CN(C)c1cc(COc2ccc(CC3(C(N)=O)CC3C(=O)NO)cc2F)c2ccccc2n1.
What is the InChIKey of 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The InChIKey is UQQFQLYSMNKWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-29(2)21-10-15(16-5-3-4-6-19(16)27-21)13-33-20-8-7-14(9-18(20)25)11-24(23(26)31)12-17(24)22(30)28-32/h3-10,17,32H,11-13H2,1-2H3,(H2,26,31)(H,28,30).
What are the key properties of 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 20748502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).