N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide

C19H26N4O4 — CID 171352046

IUPACN'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide
SMILESCOc1cc(NC(C)CCCNC(=O)CCC(=O)NO)c2ncccc2c1
InChIInChI=1S/C19H26N4O4/c1-13(5-3-9-20-17(24)7-8-18(25)23-26)22-16-12-15(27-2)11-14-6-4-10-21-19(14)16/h4,6,10-13,22,26H,3,5,7-9H2,1-2H3,(H,20,24)(H,23,25)
InChIKeyIACZCHNGKJVIJW-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.23
Rot. Bonds10

About N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide

N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide (PubChem CID 171352046) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide
PubChem CID171352046
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide
SMILESCOc1cc(NC(C)CCCNC(=O)CCC(=O)NO)c2ncccc2c1
InChIInChI=1S/C19H26N4O4/c1-13(5-3-9-20-17(24)7-8-18(25)23-26)22-16-12-15(27-2)11-14-6-4-10-21-19(14)16/h4,6,10-13,22,26H,3,5,7-9H2,1-2H3,(H,20,24)(H,23,25)
InChIKeyIACZCHNGKJVIJW-UHFFFAOYSA-N
XLogP2.23
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815
3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride
CID 53324732
(2R)-2-amino-5-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]pentanoic acid
CID 70681420
(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-5-oxopentanoic acid
CID 70687680
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
1-[bis(4-methoxyphenyl)methylideneamino]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]urea
CID 118713297
1-(3-hydroxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]urea
CID 134131561
1-[(1S,3R)-3-hydroxycyclopentyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea
CID 135122058
1-[(4-chlorophenyl)-phenylmethyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea
CID 118713307
N'-(6-methoxyquinolin-8-yl)-N-[3-[6-[3-[[4-[(6-methoxyquinolin-8-yl)amino]-4-oxobutanoyl]amino]propylamino]hexylamino]propyl]butanediamide
CID 164627794
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide?
The IUPAC name of N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide (CID 171352046) is N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide?
The canonical SMILES for N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide is COc1cc(NC(C)CCCNC(=O)CCC(=O)NO)c2ncccc2c1.
What is the InChIKey of N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide?
The InChIKey is IACZCHNGKJVIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-13(5-3-9-20-17(24)7-8-18(25)23-26)22-16-12-15(27-2)11-14-6-4-10-21-19(14)16/h4,6,10-13,22,26H,3,5,7-9H2,1-2H3,(H,20,24)(H,23,25).
What are the key properties of N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide?
N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide has a molecular weight of 374.44 g/mol, XLogP of 2.23, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide is sourced from PubChem (CID 171352046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).