methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate

C12H11N3O2 — CID 5354484

IUPACmethyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccnc2ccccc12
InChIInChI=1S/C12H11N3O2/c1-17-12(16)15-14-8-9-6-7-13-11-5-3-2-4-10(9)11/h2-8H,1H3,(H,15,16)/b14-8+
InChIKeyMIZOHZRBRCDUPP-RIYZIHGNSA-N
MW229.24 g/mol
LogP1.92
Rot. Bonds2

About methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate

methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate (PubChem CID 5354484) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
PubChem CID5354484
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Namemethyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccnc2ccccc12
InChIInChI=1S/C12H11N3O2/c1-17-12(16)15-14-8-9-6-7-13-11-5-3-2-4-10(9)11/h2-8H,1H3,(H,15,16)/b14-8+
InChIKeyMIZOHZRBRCDUPP-RIYZIHGNSA-N
XLogP1.92
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.92
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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Related Compounds

N-(quinolin-4-ylmethylideneamino)formamide
CID 73233132
N-methyl-1-quinolin-4-ylmethanimine
CID 119086177
3-(furan-2-yl)-N-(quinolin-4-ylmethylideneamino)prop-2-enamide
CID 6734706
4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
CID 172709506
3-methyl-2-methylsulfanyl-N-(quinolin-4-ylmethylideneamino)imidazole-4-carboxamide
CID 6735332
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
CID 7732012
2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 20846182
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
CID 25251494
2-(quinolin-4-ylmethylideneamino)oxyacetic acid
CID 77013302
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate (CID 5354484) is methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate is COC(=O)N/N=C/c1ccnc2ccccc12.
What is the InChIKey of methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate?
The InChIKey is MIZOHZRBRCDUPP-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-17-12(16)15-14-8-9-6-7-13-11-5-3-2-4-10(9)11/h2-8H,1H3,(H,15,16)/b14-8+.
What are the key properties of methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate?
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate has a molecular weight of 229.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate is sourced from PubChem (CID 5354484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).