N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide

C21H30N4O6 — CID 10224880

IUPACN-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)CCCN2C(=O)CO
InChIInChI=1S/C21H30N4O6/c1-2-3-4-6-17(12-24(31)14-27)21(30)23-22-20(29)16-8-9-18-15(11-16)7-5-10-25(18)19(28)13-26/h8-9,11,14,17,26,31H,2-7,10,12-13H2,1H3,(H,22,29)(H,23,30)/t17-/m1/s1
InChIKeyFYZKHXWKAAMKMT-QGZVFWFLSA-N
MW434.49 g/mol
LogP0.76
Rot. Bonds10

About N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide (PubChem CID 10224880) has the molecular formula C21H30N4O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide
PubChem CID10224880
Molecular FormulaC21H30N4O6
Molecular Weight434.49 g/mol
Exact Mass434.22
IUPAC NameN-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)CCCN2C(=O)CO
InChIInChI=1S/C21H30N4O6/c1-2-3-4-6-17(12-24(31)14-27)21(30)23-22-20(29)16-8-9-18-15(11-16)7-5-10-25(18)19(28)13-26/h8-9,11,14,17,26,31H,2-7,10,12-13H2,1H3,(H,22,29)(H,23,30)/t17-/m1/s1
InChIKeyFYZKHXWKAAMKMT-QGZVFWFLSA-N
XLogP0.76
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide
CID 121282105
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]pentan-1-one
CID 82258964
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87264343
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 21019696
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-[5-(2-bromo-2-methylpropanoyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82258935
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061
2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane
CID 142043190

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide (CID 10224880) is N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)CCCN2C(=O)CO.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide?
The InChIKey is FYZKHXWKAAMKMT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O6/c1-2-3-4-6-17(12-24(31)14-27)21(30)23-22-20(29)16-8-9-18-15(11-16)7-5-10-25(18)19(28)13-26/h8-9,11,14,17,26,31H,2-7,10,12-13H2,1H3,(H,22,29)(H,23,30)/t17-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide has a molecular weight of 434.49 g/mol, XLogP of 0.76, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[1-(2-hydroxyacetyl)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 10224880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).