(2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate

C19H19N3O2 — CID 54457262

IUPAC(2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C19H19N3O2/c1-3-22(4-2)19(23)24-18-13-17(16-11-7-8-12-20-16)21-15-10-6-5-9-14(15)18/h5-13H,3-4H2,1-2H3
InChIKeyWZBULEADDSTDDQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.14
Rot. Bonds4

About (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate

(2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate (PubChem CID 54457262) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate
PubChem CID54457262
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C19H19N3O2/c1-3-22(4-2)19(23)24-18-13-17(16-11-7-8-12-20-16)21-15-10-6-5-9-14(15)18/h5-13H,3-4H2,1-2H3
InChIKeyWZBULEADDSTDDQ-UHFFFAOYSA-N
XLogP4.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate
CID 21283644
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N',N'-diethyl-N-(2-pyridin-2-ylquinolin-4-yl)ethane-1,2-diamine
CID 91938177
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate
CID 54142330
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 4216551
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
4-chloro-2-pyridin-2-ylquinoline
CID 24903559
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate?
The IUPAC name of (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate (CID 54457262) is (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate.
What is the SMILES notation for (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate?
The canonical SMILES for (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate?
The InChIKey is WZBULEADDSTDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-22(4-2)19(23)24-18-13-17(16-11-7-8-12-20-16)21-15-10-6-5-9-14(15)18/h5-13H,3-4H2,1-2H3.
What are the key properties of (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate?
(2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate has a molecular weight of 321.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-ylquinolin-4-yl) N,N-diethylcarbamate is sourced from PubChem (CID 54457262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).