(5-chloroquinolin-8-yl) N,N-diethylcarbamate

C14H15ClN2O2 — CID 712597

IUPAC(5-chloroquinolin-8-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H15ClN2O2/c1-3-17(4-2)14(18)19-12-8-7-11(15)10-6-5-9-16-13(10)12/h5-9H,3-4H2,1-2H3
InChIKeyLCTBGKGAFQLOSY-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.73
Rot. Bonds3

About (5-chloroquinolin-8-yl) N,N-diethylcarbamate

(5-chloroquinolin-8-yl) N,N-diethylcarbamate (PubChem CID 712597) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl) N,N-diethylcarbamate
PubChem CID712597
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(5-chloroquinolin-8-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H15ClN2O2/c1-3-17(4-2)14(18)19-12-8-7-11(15)10-6-5-9-16-13(10)12/h5-9H,3-4H2,1-2H3
InChIKeyLCTBGKGAFQLOSY-UHFFFAOYSA-N
XLogP3.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloroquinolin-8-yl) N,N-diethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
3-[[2-(5-chloroquinolin-8-yl)oxyacetyl]-ethylamino]propanoic acid
CID 120516814
ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate
CID 13338827
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine
CID 146013303
(5-chloroquinolin-8-yl) pyridin-1-ium-4-carboxylate
CID 4741373
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
(5-chloroquinolin-8-yl) 3-methylbenzoate
CID 751736
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
2-(5-chloroquinolin-8-yl)oxy-N-[3-(methylamino)propyl]acetamide;dihydrochloride
CID 119430250

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl) N,N-diethylcarbamate?
The IUPAC name of (5-chloroquinolin-8-yl) N,N-diethylcarbamate (CID 712597) is (5-chloroquinolin-8-yl) N,N-diethylcarbamate.
What is the SMILES notation for (5-chloroquinolin-8-yl) N,N-diethylcarbamate?
The canonical SMILES for (5-chloroquinolin-8-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of (5-chloroquinolin-8-yl) N,N-diethylcarbamate?
The InChIKey is LCTBGKGAFQLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-17(4-2)14(18)19-12-8-7-11(15)10-6-5-9-16-13(10)12/h5-9H,3-4H2,1-2H3.
What are the key properties of (5-chloroquinolin-8-yl) N,N-diethylcarbamate?
(5-chloroquinolin-8-yl) N,N-diethylcarbamate has a molecular weight of 278.74 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl) N,N-diethylcarbamate is sourced from PubChem (CID 712597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).