N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide

C17H17N3O2 — CID 164702540

IUPACN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C2\CCCc3cccnc32)cc1
InChIInChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)17(21)20-19-15-6-2-4-12-5-3-11-18-16(12)15/h3,5,7-11H,2,4,6H2,1H3,(H,20,21)/b19-15+
InChIKeySQIMXGKPNIPSTI-XDJHFCHBSA-N
MW295.34 g/mol
LogP2.56
Rot. Bonds3

About N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide (PubChem CID 164702540) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide
PubChem CID164702540
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C2\CCCc3cccnc32)cc1
InChIInChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)17(21)20-19-15-6-2-4-12-5-3-11-18-16(12)15/h3,5,7-11H,2,4,6H2,1H3,(H,20,21)/b19-15+
InChIKeySQIMXGKPNIPSTI-XDJHFCHBSA-N
XLogP2.56
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide (CID 164702540) is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C2\CCCc3cccnc32)cc1.
What is the InChIKey of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide?
The InChIKey is SQIMXGKPNIPSTI-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)17(21)20-19-15-6-2-4-12-5-3-11-18-16(12)15/h3,5,7-11H,2,4,6H2,1H3,(H,20,21)/b19-15+.
What are the key properties of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide?
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 164702540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).