(3-iodoquinolin-5-yl) N,N-dimethylcarbamate

C12H11IN2O2 — CID 134861107

IUPAC(3-iodoquinolin-5-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2ncc(I)cc12
InChIInChI=1S/C12H11IN2O2/c1-15(2)12(16)17-11-5-3-4-10-9(11)6-8(13)7-14-10/h3-7H,1-2H3
InChIKeyNOSSVJVOBIVYGB-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.90
Rot. Bonds1

About (3-iodoquinolin-5-yl) N,N-dimethylcarbamate

(3-iodoquinolin-5-yl) N,N-dimethylcarbamate (PubChem CID 134861107) has the molecular formula C12H11IN2O2 and a molecular weight of 342.14 g/mol. Its IUPAC name is (3-iodoquinolin-5-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(3-iodoquinolin-5-yl) N,N-dimethylcarbamate
PubChem CID134861107
Molecular FormulaC12H11IN2O2
Molecular Weight342.14 g/mol
Exact Mass341.99
IUPAC Name(3-iodoquinolin-5-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2ncc(I)cc12
InChIInChI=1S/C12H11IN2O2/c1-15(2)12(16)17-11-5-3-4-10-9(11)6-8(13)7-14-10/h3-7H,1-2H3
InChIKeyNOSSVJVOBIVYGB-UHFFFAOYSA-N
XLogP2.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
CID 24836204
[1-[15-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]pentadecyl]isoquinolin-5-yl] N,N-dimethylcarbamate;dihydrobromide
CID 173406385
(2-iodo-1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
CID 3039941
[2-(dimethylcarbamoyloxy)-3-prop-2-enylphenyl] N,N-dimethylcarbamate
CID 24836202
2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate
CID 175109424
[1-[10-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]decyl]isoquinolin-5-yl] N,N-dimethylcarbamate;sulfuric acid
CID 173406299
[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
CID 140575764
naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate
CID 71356284
1-benzofuran-7-yl N,N-dimethylcarbamate
CID 134111675
[2-[(3-cyanophenyl)-(pyrimidin-2-ylamino)methyl]phenyl] N,N-dimethylcarbamate
CID 176554040
(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate
CID 118201271
[2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate
CID 122373631

Frequently Asked Questions

What is the IUPAC name of (3-iodoquinolin-5-yl) N,N-dimethylcarbamate?
The IUPAC name of (3-iodoquinolin-5-yl) N,N-dimethylcarbamate (CID 134861107) is (3-iodoquinolin-5-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (3-iodoquinolin-5-yl) N,N-dimethylcarbamate?
The canonical SMILES for (3-iodoquinolin-5-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc2ncc(I)cc12.
What is the InChIKey of (3-iodoquinolin-5-yl) N,N-dimethylcarbamate?
The InChIKey is NOSSVJVOBIVYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2/c1-15(2)12(16)17-11-5-3-4-10-9(11)6-8(13)7-14-10/h3-7H,1-2H3.
What are the key properties of (3-iodoquinolin-5-yl) N,N-dimethylcarbamate?
(3-iodoquinolin-5-yl) N,N-dimethylcarbamate has a molecular weight of 342.14 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodoquinolin-5-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 134861107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).