N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide

C18H23N3O3 — CID 142680437

IUPACN'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide
SMILESCC(CCCCCC(=O)NO)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H23N3O3/c1-13(7-3-2-4-10-17(22)21-24)18(23)20-15-11-14-8-5-6-9-16(14)19-12-15/h5-6,8-9,11-13,24H,2-4,7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyHDKHXQLMZYYWNR-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.27
Rot. Bonds8

About N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide

N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide (PubChem CID 142680437) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide
PubChem CID142680437
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide
SMILESCC(CCCCCC(=O)NO)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H23N3O3/c1-13(7-3-2-4-10-17(22)21-24)18(23)20-15-11-14-8-5-6-9-16(14)19-12-15/h5-6,8-9,11-13,24H,2-4,7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyHDKHXQLMZYYWNR-UHFFFAOYSA-N
XLogP3.27
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
[(2S)-1,8-dioxo-1-(quinolin-3-ylamino)nonan-2-yl]-phenylcarbamic acid
CID 69322143
benzyl N-[(2S)-8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-ylamino)octan-2-yl]carbamate
CID 11155508
4-methylsulfanyl-2-(propanoylamino)-N-quinolin-3-ylbutanamide
CID 60523118
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(quinolin-3-ylamino)heptyl]boronic acid
CID 42637149
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330456
(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
3-amino-3-hydroxyimino-2-methyl-N-quinolin-3-ylpropanamide
CID 76949639
2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide
CID 46525134
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide?
The IUPAC name of N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide (CID 142680437) is N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide.
What is the SMILES notation for N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide?
The canonical SMILES for N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide is CC(CCCCCC(=O)NO)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide?
The InChIKey is HDKHXQLMZYYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(7-3-2-4-10-17(22)21-24)18(23)20-15-11-14-8-5-6-9-16(14)19-12-15/h5-6,8-9,11-13,24H,2-4,7,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide?
N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide has a molecular weight of 329.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide is sourced from PubChem (CID 142680437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).