N'-quinolin-8-ylpropanimidamide

C12H13N3 — CID 63174469

IUPACN'-quinolin-8-ylpropanimidamide
SMILESCC/C(N)=N\c1cccc2cccnc12
InChIInChI=1S/C12H13N3/c1-2-11(13)15-10-7-3-5-9-6-4-8-14-12(9)10/h3-8H,2H2,1H3,(H2,13,15)
InChIKeyXCNHQZPHRRXJHK-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.63
Rot. Bonds2

About N'-quinolin-8-ylpropanimidamide

N'-quinolin-8-ylpropanimidamide (PubChem CID 63174469) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N'-quinolin-8-ylpropanimidamide.

Molecular Properties

Compound NameN'-quinolin-8-ylpropanimidamide
PubChem CID63174469
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN'-quinolin-8-ylpropanimidamide
SMILESCC/C(N)=N\c1cccc2cccnc12
InChIInChI=1S/C12H13N3/c1-2-11(13)15-10-7-3-5-9-6-4-8-14-12(9)10/h3-8H,2H2,1H3,(H2,13,15)
InChIKeyXCNHQZPHRRXJHK-UHFFFAOYSA-N
XLogP2.63
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-quinolin-5-ylpropanimidamide
CID 63174316
1-hydroxy-2-quinolin-8-ylguanidine
CID 62484126
5-quinolin-8-yliminoheptan-3-one
CID 139343067
1-phenyl-3-quinolin-8-yliminobutan-1-one
CID 90728099
N'-quinolin-8-ylcyclohexanecarboximidamide
CID 63174574
2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)
CID 11561912
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733938
8-azidoquinoline
CID 11321201
methanol;quinolin-8-ol
CID 161490698
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144

Frequently Asked Questions

What is the IUPAC name of N'-quinolin-8-ylpropanimidamide?
The IUPAC name of N'-quinolin-8-ylpropanimidamide (CID 63174469) is N'-quinolin-8-ylpropanimidamide.
What is the SMILES notation for N'-quinolin-8-ylpropanimidamide?
The canonical SMILES for N'-quinolin-8-ylpropanimidamide is CC/C(N)=N\c1cccc2cccnc12.
What is the InChIKey of N'-quinolin-8-ylpropanimidamide?
The InChIKey is XCNHQZPHRRXJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-11(13)15-10-7-3-5-9-6-4-8-14-12(9)10/h3-8H,2H2,1H3,(H2,13,15).
What are the key properties of N'-quinolin-8-ylpropanimidamide?
N'-quinolin-8-ylpropanimidamide has a molecular weight of 199.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-quinolin-8-ylpropanimidamide is sourced from PubChem (CID 63174469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).