trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

C24H22FN3O4 — CID 10151290

IUPACtrans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
SMILESNC(=O)[C@@]1(c2ccc(OCc3cc(C4CC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO
InChIInChI=1S/C24H22FN3O4/c25-18-10-15(24(23(26)30)11-17(24)22(29)28-31)7-8-21(18)32-12-14-9-20(13-5-6-13)27-19-4-2-1-3-16(14)19/h1-4,7-10,13,17,31H,5-6,11-12H2,(H2,26,30)(H,28,29)/t17-,24-/m1/s1
InChIKeyFULSASNNEAUPBS-MZNJEOGPSA-N
MW435.46 g/mol
LogP3.08
Rot. Bonds7

About trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide (PubChem CID 10151290) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
PubChem CID10151290
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Nametrans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
SMILESNC(=O)[C@@]1(c2ccc(OCc3cc(C4CC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO
InChIInChI=1S/C24H22FN3O4/c25-18-10-15(24(23(26)30)11-17(24)22(29)28-31)7-8-21(18)32-12-14-9-20(13-5-6-13)27-19-4-2-1-3-16(14)19/h1-4,7-10,13,17,31H,5-6,11-12H2,(H2,26,30)(H,28,29)/t17-,24-/m1/s1
InChIKeyFULSASNNEAUPBS-MZNJEOGPSA-N
XLogP3.08
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.08
H-Bond Donors ≤ 53
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'}

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Related Compounds

trans-methyl (1S,2S)-1-[3-fluoro-4-[(2-pyrrolidin-1-ylquinolin-4-yl)methoxy]phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 10310988
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
1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 20748502
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-[[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-(1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 44581138
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-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 44581112
2-[[3-fluoro-4-[(2-pyrrolidin-1-ylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;methyl formate
CID 142258842
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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide (CID 10151290) is trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide is NC(=O)[C@@]1(c2ccc(OCc3cc(C4CC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO.
What is the InChIKey of trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
The InChIKey is FULSASNNEAUPBS-MZNJEOGPSA-N. The full InChI is InChI=1S/C24H22FN3O4/c25-18-10-15(24(23(26)30)11-17(24)22(29)28-31)7-8-21(18)32-12-14-9-20(13-5-6-13)27-19-4-2-1-3-16(14)19/h1-4,7-10,13,17,31H,5-6,11-12H2,(H2,26,30)(H,28,29)/t17-,24-/m1/s1.
What are the key properties of trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide?
trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-[4-[(2-cyclopropylquinolin-4-yl)methoxy]-3-fluorophenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 10151290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).