2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde

C28H33N3O4 — CID 142258853

IUPAC2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde
SMILESCCc1cc(COc2ccc(CC3CC3C(=O)NO)cc2)c2ccccc2n1.O=CN1CCCC1
InChIInChI=1S/C23H24N2O3.C5H9NO/c1-2-18-12-17(20-5-3-4-6-22(20)24-18)14-28-19-9-7-15(8-10-19)11-16-13-21(16)23(26)25-27;7-5-6-3-1-2-4-6/h3-10,12,16,21,27H,2,11,13-14H2,1H3,(H,25,26);5H,1-4H2
InChIKeyPBOHZNZSNLCQCA-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.30
Rot. Bonds8

About 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde

2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde (PubChem CID 142258853) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde
PubChem CID142258853
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde
SMILESCCc1cc(COc2ccc(CC3CC3C(=O)NO)cc2)c2ccccc2n1.O=CN1CCCC1
InChIInChI=1S/C23H24N2O3.C5H9NO/c1-2-18-12-17(20-5-3-4-6-22(20)24-18)14-28-19-9-7-15(8-10-19)11-16-13-21(16)23(26)25-27;7-5-6-3-1-2-4-6/h3-10,12,16,21,27H,2,11,13-14H2,1H3,(H,25,26);5H,1-4H2
InChIKeyPBOHZNZSNLCQCA-UHFFFAOYSA-N
XLogP4.30
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine
CID 142258935
cis-(1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 44581138
2-[[3-fluoro-4-[(2-pyrrolidin-1-ylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;methyl formate
CID 142258842
tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 67561637
cis-ethyl (1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1S,2R)-N-hydroxy-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 162192595
N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide
CID 22616988
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729933
N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide
CID 10181303
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid
CID 87976885
(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide
CID 87977443

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde (CID 142258853) is 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde is CCc1cc(COc2ccc(CC3CC3C(=O)NO)cc2)c2ccccc2n1.O=CN1CCCC1.
What is the InChIKey of 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde?
The InChIKey is PBOHZNZSNLCQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3.C5H9NO/c1-2-18-12-17(20-5-3-4-6-22(20)24-18)14-28-19-9-7-15(8-10-19)11-16-13-21(16)23(26)25-27;7-5-6-3-1-2-4-6/h3-10,12,16,21,27H,2,11,13-14H2,1H3,(H,25,26);5H,1-4H2.
What are the key properties of 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde?
2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde has a molecular weight of 475.59 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 142258853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).