8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine

C13H14ClFN2O — CID 62320077

IUPAC8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(Cl)cc(F)cc12
InChIInChI=1S/C13H14ClFN2O/c1-3-16-12-6-9(7-18-2)17-13-10(12)4-8(15)5-11(13)14/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeySHVDFUIUQJXZIC-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.61
Rot. Bonds4

About 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine

8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine (PubChem CID 62320077) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
PubChem CID62320077
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(Cl)cc(F)cc12
InChIInChI=1S/C13H14ClFN2O/c1-3-16-12-6-9(7-18-2)17-13-10(12)4-8(15)5-11(13)14/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeySHVDFUIUQJXZIC-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine (CID 62320077) is 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine is CCNc1cc(COC)nc2c(Cl)cc(F)cc12.
What is the InChIKey of 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is SHVDFUIUQJXZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-3-16-12-6-9(7-18-2)17-13-10(12)4-8(15)5-11(13)14/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine?
8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 268.72 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 62320077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).