4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine

C14H16ClFN2O3S — CID 133354034

IUPAC4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine
SMILESCS(=O)(=O)CCOCCNc1ccc2c(Cl)ccnc2c1F
InChIInChI=1S/C14H16ClFN2O3S/c1-22(19,20)9-8-21-7-6-17-12-3-2-10-11(15)4-5-18-14(10)13(12)16/h2-5,17H,6-9H2,1H3
InChIKeyPCLQPHKIBPJDKJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.50
Rot. Bonds7

About 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine

4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine (PubChem CID 133354034) has the molecular formula C14H16ClFN2O3S and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine.

Molecular Properties

Compound Name4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine
PubChem CID133354034
Molecular FormulaC14H16ClFN2O3S
Molecular Weight346.81 g/mol
Exact Mass346.06
IUPAC Name4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine
SMILESCS(=O)(=O)CCOCCNc1ccc2c(Cl)ccnc2c1F
InChIInChI=1S/C14H16ClFN2O3S/c1-22(19,20)9-8-21-7-6-17-12-3-2-10-11(15)4-5-18-14(10)13(12)16/h2-5,17H,6-9H2,1H3
InChIKeyPCLQPHKIBPJDKJ-UHFFFAOYSA-N
XLogP2.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305761
4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine
CID 133347573
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
CID 133297743
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351591
4-chloro-8-fluoro-N-[(3-nitrophenyl)methyl]quinolin-7-amine
CID 133299263
1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
CID 133377505
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide
CID 133388131
6-chloro-5-N-methyl-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-4,5-diamine
CID 133464690
6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine
CID 133354069
[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol
CID 133328011

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine?
The IUPAC name of 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine (CID 133354034) is 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine.
What is the SMILES notation for 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine?
The canonical SMILES for 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine is CS(=O)(=O)CCOCCNc1ccc2c(Cl)ccnc2c1F.
What is the InChIKey of 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine?
The InChIKey is PCLQPHKIBPJDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3S/c1-22(19,20)9-8-21-7-6-17-12-3-2-10-11(15)4-5-18-14(10)13(12)16/h2-5,17H,6-9H2,1H3.
What are the key properties of 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine?
4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine has a molecular weight of 346.81 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine is sourced from PubChem (CID 133354034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).