N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide

C20H20N4O3 — CID 172561837

IUPACN'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide
SMILESCc1cc(Nc2ccc(NC(=O)CCC(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C20H20N4O3/c1-13-12-18(16-4-2-3-5-17(16)21-13)22-14-6-8-15(9-7-14)23-19(25)10-11-20(26)24-27/h2-9,12,27H,10-11H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyQEDLWFOYZQJXGR-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.51
Rot. Bonds6

About N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide

N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide (PubChem CID 172561837) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide
PubChem CID172561837
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide
SMILESCc1cc(Nc2ccc(NC(=O)CCC(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C20H20N4O3/c1-13-12-18(16-4-2-3-5-17(16)21-13)22-14-6-8-15(9-7-14)23-19(25)10-11-20(26)24-27/h2-9,12,27H,10-11H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyQEDLWFOYZQJXGR-UHFFFAOYSA-N
XLogP3.51
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.51
H-Bond Donors ≤ 54
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

N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
CID 44596231
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine
CID 65029424
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-methylquinolin-4-yl)propanamide
CID 3095476
2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 58958139
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 62041805
4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
CID 64894250

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide?
The IUPAC name of N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide (CID 172561837) is N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide?
The canonical SMILES for N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide is Cc1cc(Nc2ccc(NC(=O)CCC(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide?
The InChIKey is QEDLWFOYZQJXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-12-18(16-4-2-3-5-17(16)21-13)22-14-6-8-15(9-7-14)23-19(25)10-11-20(26)24-27/h2-9,12,27H,10-11H2,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide?
N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide has a molecular weight of 364.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide is sourced from PubChem (CID 172561837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).