N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide

C28H34N4O4 — CID 10278105

IUPACN-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)(C(=O)NO)CC1
InChIInChI=1S/C28H34N4O4/c1-3-14-32-15-12-28(13-16-32,27(34)31-35)19-29-26(33)21-8-10-23(11-9-21)36-18-22-17-20(2)30-25-7-5-4-6-24(22)25/h4-11,17,35H,3,12-16,18-19H2,1-2H3,(H,29,33)(H,31,34)
InChIKeyGTCRWKBEGBSXDD-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.85
Rot. Bonds9

About N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide

N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide (PubChem CID 10278105) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide
PubChem CID10278105
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)(C(=O)NO)CC1
InChIInChI=1S/C28H34N4O4/c1-3-14-32-15-12-28(13-16-32,27(34)31-35)19-29-26(33)21-8-10-23(11-9-21)36-18-22-17-20(2)30-25-7-5-4-6-24(22)25/h4-11,17,35H,3,12-16,18-19H2,1-2H3,(H,29,33)(H,31,34)
InChIKeyGTCRWKBEGBSXDD-UHFFFAOYSA-N
XLogP3.85
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide (CID 10278105) is N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide is CCCN1CCC(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)(C(=O)NO)CC1.
What is the InChIKey of N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide?
The InChIKey is GTCRWKBEGBSXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-3-14-32-15-12-28(13-16-32,27(34)31-35)19-29-26(33)21-8-10-23(11-9-21)36-18-22-17-20(2)30-25-7-5-4-6-24(22)25/h4-11,17,35H,3,12-16,18-19H2,1-2H3,(H,29,33)(H,31,34).
What are the key properties of N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide?
N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-propylpiperidine-4-carboxamide is sourced from PubChem (CID 10278105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).