8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine

C14H16ClFN2O — CID 107531260

IUPAC8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(Cl)ccc(F)c12
InChIInChI=1S/C14H16ClFN2O/c1-3-6-17-12-7-9(8-19-2)18-14-10(15)4-5-11(16)13(12)14/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyAIUCAPPZVUDSIF-UHFFFAOYSA-N
MW282.75 g/mol
LogP4.00
Rot. Bonds5

About 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine

8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine (PubChem CID 107531260) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
PubChem CID107531260
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(Cl)ccc(F)c12
InChIInChI=1S/C14H16ClFN2O/c1-3-6-17-12-7-9(8-19-2)18-14-10(15)4-5-11(16)13(12)14/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyAIUCAPPZVUDSIF-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 107531286
5,8-dichloro-2-ethyl-N-propylquinolin-4-amine
CID 63480385
6,8-dichloro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 55062733
5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 55132058
5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320818
5,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320073
5-fluoro-8-methyl-N,2-dipropylquinolin-4-amine
CID 63479279
7-chloro-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 55062636
6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 62319897
8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine
CID 107531263
6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 103416760
2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine
CID 55062350

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine?
The IUPAC name of 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine (CID 107531260) is 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine.
What is the SMILES notation for 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine?
The canonical SMILES for 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine is CCCNc1cc(COC)nc2c(Cl)ccc(F)c12.
What is the InChIKey of 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine?
The InChIKey is AIUCAPPZVUDSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-3-6-17-12-7-9(8-19-2)18-14-10(15)4-5-11(16)13(12)14/h4-5,7H,3,6,8H2,1-2H3,(H,17,18).
What are the key properties of 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine?
8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine has a molecular weight of 282.75 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine is sourced from PubChem (CID 107531260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).