N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide

C19H24N4O4 — CID 122182519

IUPACN'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide
SMILESCNC(=O)c1cc(CNC(=O)CCCCCC(=O)NO)nc2ccccc12
InChIInChI=1S/C19H24N4O4/c1-20-19(26)15-11-13(22-16-8-6-5-7-14(15)16)12-21-17(24)9-3-2-4-10-18(25)23-27/h5-8,11,27H,2-4,9-10,12H2,1H3,(H,20,26)(H,21,24)(H,23,25)
InChIKeyOYUNUWSNSKJXTP-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.67
Rot. Bonds9

About N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide

N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide (PubChem CID 122182519) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide
PubChem CID122182519
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide
SMILESCNC(=O)c1cc(CNC(=O)CCCCCC(=O)NO)nc2ccccc12
InChIInChI=1S/C19H24N4O4/c1-20-19(26)15-11-13(22-16-8-6-5-7-14(15)16)12-21-17(24)9-3-2-4-10-18(25)23-27/h5-8,11,27H,2-4,9-10,12H2,1H3,(H,20,26)(H,21,24)(H,23,25)
InChIKeyOYUNUWSNSKJXTP-UHFFFAOYSA-N
XLogP1.67
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide
CID 122182514
N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide
CID 122182524
N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
CID 5404855
2-(2-methylpropyl)quinoline-4-carbohydrazide
CID 4167752
N-benzylundecanamide
CID 5078198
N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 86293233
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide?
The IUPAC name of N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide (CID 122182519) is N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide is CNC(=O)c1cc(CNC(=O)CCCCCC(=O)NO)nc2ccccc12.
What is the InChIKey of N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide?
The InChIKey is OYUNUWSNSKJXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-20-19(26)15-11-13(22-16-8-6-5-7-14(15)16)12-21-17(24)9-3-2-4-10-18(25)23-27/h5-8,11,27H,2-4,9-10,12H2,1H3,(H,20,26)(H,21,24)(H,23,25).
What are the key properties of N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide?
N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide has a molecular weight of 372.43 g/mol, XLogP of 1.67, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide is sourced from PubChem (CID 122182519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).