N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C27H31FN4O4 — CID 10185100

IUPACN-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(CCF)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C27H31FN4O4/c1-19-16-21(23-4-2-3-5-24(23)29-19)18-36-22-8-6-20(7-9-22)26(34)30-27(17-25(33)31-35)10-13-32(14-11-27)15-12-28/h2-9,16,35H,10-15,17-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyMCNQDQIVWJTIBW-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.55
Rot. Bonds9

About N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 10185100) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID10185100
Molecular FormulaC27H31FN4O4
Molecular Weight494.57 g/mol
Exact Mass494.23
IUPAC NameN-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(CCF)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C27H31FN4O4/c1-19-16-21(23-4-2-3-5-24(23)29-19)18-36-22-8-6-20(7-9-22)26(34)30-27(17-25(33)31-35)10-13-32(14-11-27)15-12-28/h2-9,16,35H,10-15,17-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyMCNQDQIVWJTIBW-UHFFFAOYSA-N
XLogP3.55
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.55
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'}

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Related Compounds

CID 9847838
CID 9847838
CID 117996795
CID 117996795
CID 9956692
CID 9956692
CID 10140363
CID 10140363
CID 10299198
CID 10299198
CID 24799781
CID 24799781
CID 9889867
CID 9889867
CID 3241312
CID 3241312
CID 10160968
CID 10160968
CID 24799616
CID 24799616
CID 24799617
CID 24799617
CID 24799619
CID 24799619

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 10185100) is N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(CCF)CC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is MCNQDQIVWJTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-19-16-21(23-4-2-3-5-24(23)29-19)18-36-22-8-6-20(7-9-22)26(34)30-27(17-25(33)31-35)10-13-32(14-11-27)15-12-28/h2-9,16,35H,10-15,17-18H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 494.57 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 10185100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).