methyl quinoline-8-carboximidate

C11H10N2O — CID 63970769

IUPACmethyl quinoline-8-carboximidate
SMILES[H]/N=C(\OC)c1cccc2cccnc12
InChIInChI=1S/C11H10N2O/c1-14-11(12)9-6-2-4-8-5-3-7-13-10(8)9/h2-7,12H,1H3/b12-11-
InChIKeyNXYKXNHHKAHURZ-QXMHVHEDSA-N
MW186.21 g/mol
LogP2.21
Rot. Bonds1

About methyl quinoline-8-carboximidate

methyl quinoline-8-carboximidate (PubChem CID 63970769) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl quinoline-8-carboximidate.

Molecular Properties

Compound Namemethyl quinoline-8-carboximidate
PubChem CID63970769
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Namemethyl quinoline-8-carboximidate
SMILES[H]/N=C(\OC)c1cccc2cccnc12
InChIInChI=1S/C11H10N2O/c1-14-11(12)9-6-2-4-8-5-3-7-13-10(8)9/h2-7,12H,1H3/b12-11-
InChIKeyNXYKXNHHKAHURZ-QXMHVHEDSA-N
XLogP2.21
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
N-methoxyquinolin-8-amine
CID 143696561
palladium;quinoline-8-carboxylic acid
CID 174945118
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(1,10-phenanthroline);ruthenium
CID 15001085
methanol;quinolin-8-ol
CID 161490698
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate
CID 167613038
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
CID 54604144
CID 54604144

Frequently Asked Questions

What is the IUPAC name of methyl quinoline-8-carboximidate?
The IUPAC name of methyl quinoline-8-carboximidate (CID 63970769) is methyl quinoline-8-carboximidate.
What is the SMILES notation for methyl quinoline-8-carboximidate?
The canonical SMILES for methyl quinoline-8-carboximidate is [H]/N=C(\OC)c1cccc2cccnc12.
What is the InChIKey of methyl quinoline-8-carboximidate?
The InChIKey is NXYKXNHHKAHURZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H10N2O/c1-14-11(12)9-6-2-4-8-5-3-7-13-10(8)9/h2-7,12H,1H3/b12-11-.
What are the key properties of methyl quinoline-8-carboximidate?
methyl quinoline-8-carboximidate has a molecular weight of 186.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl quinoline-8-carboximidate is sourced from PubChem (CID 63970769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).