N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide

C26H34N4O4 — CID 90667455

IUPACN-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide
SMILESCC(=O)N1c2ccc(NC(=O)CCCCCCC(=O)NO)cc2[C@H](Nc2ccccc2)C[C@@H]1C
InChIInChI=1S/C26H34N4O4/c1-18-16-23(27-20-10-6-5-7-11-20)22-17-21(14-15-24(22)30(18)19(2)31)28-25(32)12-8-3-4-9-13-26(33)29-34/h5-7,10-11,14-15,17-18,23,27,34H,3-4,8-9,12-13,16H2,1-2H3,(H,28,32)(H,29,33)/t18-,23+/m0/s1
InChIKeySUNGCKMWYWAHPK-FDDCHVKYSA-N
MW466.58 g/mol
LogP4.77
Rot. Bonds10

About N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide

N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide (PubChem CID 90667455) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide
PubChem CID90667455
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide
SMILESCC(=O)N1c2ccc(NC(=O)CCCCCCC(=O)NO)cc2[C@H](Nc2ccccc2)C[C@@H]1C
InChIInChI=1S/C26H34N4O4/c1-18-16-23(27-20-10-6-5-7-11-20)22-17-21(14-15-24(22)30(18)19(2)31)28-25(32)12-8-3-4-9-13-26(33)29-34/h5-7,10-11,14-15,17-18,23,27,34H,3-4,8-9,12-13,16H2,1-2H3,(H,28,32)(H,29,33)/t18-,23+/m0/s1
InChIKeySUNGCKMWYWAHPK-FDDCHVKYSA-N
XLogP4.77
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.77
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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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide (CID 90667455) is N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide is CC(=O)N1c2ccc(NC(=O)CCCCCCC(=O)NO)cc2[C@H](Nc2ccccc2)C[C@@H]1C.
What is the InChIKey of N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide?
The InChIKey is SUNGCKMWYWAHPK-FDDCHVKYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-18-16-23(27-20-10-6-5-7-11-20)22-17-21(14-15-24(22)30(18)19(2)31)28-25(32)12-8-3-4-9-13-26(33)29-34/h5-7,10-11,14-15,17-18,23,27,34H,3-4,8-9,12-13,16H2,1-2H3,(H,28,32)(H,29,33)/t18-,23+/m0/s1.
What are the key properties of N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide?
N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide has a molecular weight of 466.58 g/mol, XLogP of 4.77, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 90667455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).