7-chloro-2,3-diethylquinolin-4-amine;methanethiol

C14H19ClN2S — CID 142986409

IUPAC7-chloro-2,3-diethylquinolin-4-amine;methanethiol
SMILESCCc1nc2cc(Cl)ccc2c(N)c1CC.CS
InChIInChI=1S/C13H15ClN2.CH4S/c1-3-9-11(4-2)16-12-7-8(14)5-6-10(12)13(9)15;1-2/h5-7H,3-4H2,1-2H3,(H2,15,16);2H,1H3
InChIKeyFSFLVTMIEUFRSF-UHFFFAOYSA-N
MW282.84 g/mol
LogP4.14
Rot. Bonds2

About 7-chloro-2,3-diethylquinolin-4-amine;methanethiol

7-chloro-2,3-diethylquinolin-4-amine;methanethiol (PubChem CID 142986409) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 7-chloro-2,3-diethylquinolin-4-amine;methanethiol.

Molecular Properties

Compound Name7-chloro-2,3-diethylquinolin-4-amine;methanethiol
PubChem CID142986409
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC Name7-chloro-2,3-diethylquinolin-4-amine;methanethiol
SMILESCCc1nc2cc(Cl)ccc2c(N)c1CC.CS
InChIInChI=1S/C13H15ClN2.CH4S/c1-3-9-11(4-2)16-12-7-8(14)5-6-10(12)13(9)15;1-2/h5-7H,3-4H2,1-2H3,(H2,15,16);2H,1H3
InChIKeyFSFLVTMIEUFRSF-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(7-chloro-2,3-diethylquinolin-4-yl)hydrazine
CID 156874809
6-chloro-2-ethoxyacridin-9-amine
CID 71700026
3-bromo-7-chloro-2-ethylquinoline
CID 123560307
6-chloro-3,4-diethylcinnoline
CID 102493211
2-ethyl-3-fluoro-5-methylquinolin-6-amine
CID 166948331
6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
CID 62203950
acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane
CID 142881752
7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
CID 62203586
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
(7-chloro-2-propylquinazolin-4-yl)hydrazine
CID 106583898
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
(7-chloro-3-methylquinoxalin-2-yl)methanamine
CID 117274858

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-diethylquinolin-4-amine;methanethiol?
The IUPAC name of 7-chloro-2,3-diethylquinolin-4-amine;methanethiol (CID 142986409) is 7-chloro-2,3-diethylquinolin-4-amine;methanethiol.
What is the SMILES notation for 7-chloro-2,3-diethylquinolin-4-amine;methanethiol?
The canonical SMILES for 7-chloro-2,3-diethylquinolin-4-amine;methanethiol is CCc1nc2cc(Cl)ccc2c(N)c1CC.CS.
What is the InChIKey of 7-chloro-2,3-diethylquinolin-4-amine;methanethiol?
The InChIKey is FSFLVTMIEUFRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.CH4S/c1-3-9-11(4-2)16-12-7-8(14)5-6-10(12)13(9)15;1-2/h5-7H,3-4H2,1-2H3,(H2,15,16);2H,1H3.
What are the key properties of 7-chloro-2,3-diethylquinolin-4-amine;methanethiol?
7-chloro-2,3-diethylquinolin-4-amine;methanethiol has a molecular weight of 282.84 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-diethylquinolin-4-amine;methanethiol is sourced from PubChem (CID 142986409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).