N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide

C18H21N3O3 — CID 42599456

IUPACN-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide
SMILESO=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO
InChIInChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
InChIKeyIXKLILPHPNZHNB-CSKARUKUSA-N
MW327.38 g/mol
LogP2.43
Rot. Bonds8

About N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide

N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide (PubChem CID 42599456) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide
PubChem CID42599456
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide
SMILESO=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO
InChIInChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
InChIKeyIXKLILPHPNZHNB-CSKARUKUSA-N
XLogP2.43
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.43
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': 'Michael_acceptor_1', '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-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide?
The IUPAC name of N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide (CID 42599456) is N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide.
What is the SMILES notation for N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide?
The canonical SMILES for N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide is O=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide?
The InChIKey is IXKLILPHPNZHNB-CSKARUKUSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+.
What are the key properties of N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide?
N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide has a molecular weight of 327.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[(E)-3-quinolin-7-ylprop-2-enoyl]amino]hexanamide is sourced from PubChem (CID 42599456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).