propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

C24H36N4O6 — CID 90667453

IUPACpropan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(NC(=O)CCCCCCC(=O)NO)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C24H36N4O6/c1-15(2)34-24(32)26-20-13-16(3)28(17(4)29)21-12-11-18(14-19(20)21)25-22(30)9-7-5-6-8-10-23(31)27-33/h11-12,14-16,20,33H,5-10,13H2,1-4H3,(H,25,30)(H,26,32)(H,27,31)/t16-,20+/m0/s1
InChIKeyIBHGRWMRNZCZPS-OXJNMPFZSA-N
MW476.57 g/mol
LogP3.79
Rot. Bonds10

About propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 90667453) has the molecular formula C24H36N4O6 and a molecular weight of 476.57 g/mol. Its IUPAC name is propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID90667453
Molecular FormulaC24H36N4O6
Molecular Weight476.57 g/mol
Exact Mass476.26
IUPAC Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(NC(=O)CCCCCCC(=O)NO)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C24H36N4O6/c1-15(2)34-24(32)26-20-13-16(3)28(17(4)29)21-12-11-18(14-19(20)21)25-22(30)9-7-5-6-8-10-23(31)27-33/h11-12,14-16,20,33H,5-10,13H2,1-4H3,(H,25,30)(H,26,32)(H,27,31)/t16-,20+/m0/s1
InChIKeyIBHGRWMRNZCZPS-OXJNMPFZSA-N
XLogP3.79
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.79
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'}

Analyze propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate with MolForge

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Related Compounds

Propan-2-Yl N-[(2s,4r)-1-Ethanoyl-2-Methyl-6-[4-[[8-(Oxidanylamino)-8-Oxidanylidene-Octanoyl]amino]phenyl]-3,4-Dihydro-2h-Quinolin-4-Yl]carbamate
CID 90667452
N-[[(5S)-3-[(2R)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12971637
N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide
CID 86581294
N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide
CID 90667455
N-[[(5S)-3-[(2S)-1-formyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44355636
8-[[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]amino]-8-oxooctanoic acid
CID 90667456
tert-butyl N-(6-nitro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
CID 54594255
Ethyl (1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)carbamate
CID 7656436
3-Methoxy-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-YL)propanamide
CID 71842963
6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43789549
propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 169234610
US20240287025, Reference MLE-6-85
CID 166058996

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 90667453) is propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(NC(=O)CCCCCCC(=O)NO)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C.
What is the InChIKey of propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is IBHGRWMRNZCZPS-OXJNMPFZSA-N. The full InChI is InChI=1S/C24H36N4O6/c1-15(2)34-24(32)26-20-13-16(3)28(17(4)29)21-12-11-18(14-19(20)21)25-22(30)9-7-5-6-8-10-23(31)27-33/h11-12,14-16,20,33H,5-10,13H2,1-4H3,(H,25,30)(H,26,32)(H,27,31)/t16-,20+/m0/s1.
What are the key properties of propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 476.57 g/mol, XLogP of 3.79, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S,4R)-1-acetyl-6-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 90667453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).