5-Quinolin-8-yliminoheptan-3-one

C16H18N2O — CID 139343067

IUPAC5-quinolin-8-yliminoheptan-3-one
SMILESCCC(=NC1=CC=CC2=C1N=CC=C2)CC(=O)CC
InChIInChI=1S/C16H18N2O/c1-3-13(11-14(19)4-2)18-15-9-5-7-12-8-6-10-17-16(12)15/h5-10H,3-4,11H2,1-2H3
InChIKeyPCVYXCSOBRSOND-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.80
Rot. Bonds5

About 5-Quinolin-8-yliminoheptan-3-one

5-Quinolin-8-yliminoheptan-3-one (PubChem CID 139343067) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-quinolin-8-yliminoheptan-3-one.

Molecular Properties

Compound Name5-Quinolin-8-yliminoheptan-3-one
PubChem CID139343067
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-quinolin-8-yliminoheptan-3-one
SMILESCCC(=NC1=CC=CC2=C1N=CC=C2)CC(=O)CC
InChIInChI=1S/C16H18N2O/c1-3-13(11-14(19)4-2)18-15-9-5-7-12-8-6-10-17-16(12)15/h5-10H,3-4,11H2,1-2H3
InChIKeyPCVYXCSOBRSOND-UHFFFAOYSA-N
XLogP2.80
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity338

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-Quinolin-8-yliminoheptan-3-one?
The IUPAC name of 5-Quinolin-8-yliminoheptan-3-one (CID 139343067) is 5-quinolin-8-yliminoheptan-3-one.
What is the SMILES notation for 5-Quinolin-8-yliminoheptan-3-one?
The canonical SMILES for 5-Quinolin-8-yliminoheptan-3-one is CCC(=NC1=CC=CC2=C1N=CC=C2)CC(=O)CC.
What is the InChIKey of 5-Quinolin-8-yliminoheptan-3-one?
The InChIKey is PCVYXCSOBRSOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-13(11-14(19)4-2)18-15-9-5-7-12-8-6-10-17-16(12)15/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 5-Quinolin-8-yliminoheptan-3-one?
5-Quinolin-8-yliminoheptan-3-one has a molecular weight of 254.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Quinolin-8-yliminoheptan-3-one is sourced from PubChem (CID 139343067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).