6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine

C14H15ClN2O2S — CID 63162713

IUPAC6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NC2CCS(=O)(=O)C2)c2cccnc12
InChIInChI=1S/C14H15ClN2O2S/c1-9-7-12(15)14(11-3-2-5-16-13(9)11)17-10-4-6-20(18,19)8-10/h2-3,5,7,10,17H,4,6,8H2,1H3
InChIKeyNVBJNZFKUUMHMV-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.80
Rot. Bonds2

About 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine

6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine (PubChem CID 63162713) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine.

Molecular Properties

Compound Name6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine
PubChem CID63162713
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NC2CCS(=O)(=O)C2)c2cccnc12
InChIInChI=1S/C14H15ClN2O2S/c1-9-7-12(15)14(11-3-2-5-16-13(9)11)17-10-4-6-20(18,19)8-10/h2-3,5,7,10,17H,4,6,8H2,1H3
InChIKeyNVBJNZFKUUMHMV-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
8-N-(1,1-dioxothiolan-3-yl)-7-fluoroquinoline-5,8-diamine
CID 83174233
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 112896000
N-(2-chloro-4,6-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109309164
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
N-(2,5-dichloro-4-methylphenyl)-1,1-dioxothian-3-amine
CID 113445780
N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79378143
5-chloro-N-[(3S)-1,1-dioxothian-3-yl]quinoline-8-carboxamide
CID 96547534
N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide
CID 71895819
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
4-N-(1,1-dioxothiolan-3-yl)quinoline-3,4-diamine
CID 103962744

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine?
The IUPAC name of 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine (CID 63162713) is 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine.
What is the SMILES notation for 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine?
The canonical SMILES for 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine is Cc1cc(Cl)c(NC2CCS(=O)(=O)C2)c2cccnc12.
What is the InChIKey of 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine?
The InChIKey is NVBJNZFKUUMHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-7-12(15)14(11-3-2-5-16-13(9)11)17-10-4-6-20(18,19)8-10/h2-3,5,7,10,17H,4,6,8H2,1H3.
What are the key properties of 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine?
6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine has a molecular weight of 310.81 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine is sourced from PubChem (CID 63162713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).