[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate

C13H15N3O2 — CID 139034930

IUPAC[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccnc2ccc(N(C)C)cc12
InChIInChI=1S/C13H15N3O2/c1-14-13(17)18-12-6-7-15-11-5-4-9(16(2)3)8-10(11)12/h4-8H,1-3H3,(H,14,17)
InChIKeyQWASNJPKOVOSHQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.02
Rot. Bonds2

About [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate

[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate (PubChem CID 139034930) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate.

Molecular Properties

Compound Name[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate
PubChem CID139034930
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccnc2ccc(N(C)C)cc12
InChIInChI=1S/C13H15N3O2/c1-14-13(17)18-12-6-7-15-11-5-4-9(16(2)3)8-10(11)12/h4-8H,1-3H3,(H,14,17)
InChIKeyQWASNJPKOVOSHQ-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate?
The IUPAC name of [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate (CID 139034930) is [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate.
What is the SMILES notation for [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate?
The canonical SMILES for [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate is CNC(=O)Oc1ccnc2ccc(N(C)C)cc12.
What is the InChIKey of [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate?
The InChIKey is QWASNJPKOVOSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14-13(17)18-12-6-7-15-11-5-4-9(16(2)3)8-10(11)12/h4-8H,1-3H3,(H,14,17).
What are the key properties of [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate?
[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate has a molecular weight of 245.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)quinolin-4-yl] N-methylcarbamate is sourced from PubChem (CID 139034930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).