8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine

C19H19ClN2O — CID 146299498

IUPAC8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine
SMILESCCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1
InChIInChI=1S/C19H19ClN2O/c1-3-11-23-15-8-9-17(13(2)12-15)21-18-10-7-14-5-4-6-16(20)19(14)22-18/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyZNMABAGRDMYWSS-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.73
Rot. Bonds5

About 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine

8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine (PubChem CID 146299498) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine
PubChem CID146299498
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine
SMILESCCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1
InChIInChI=1S/C19H19ClN2O/c1-3-11-23-15-8-9-17(13(2)12-15)21-18-10-7-14-5-4-6-16(20)19(14)22-18/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyZNMABAGRDMYWSS-UHFFFAOYSA-N
XLogP5.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine?
The IUPAC name of 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine (CID 146299498) is 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine?
The canonical SMILES for 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine is CCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1.
What is the InChIKey of 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine?
The InChIKey is ZNMABAGRDMYWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-3-11-23-15-8-9-17(13(2)12-15)21-18-10-7-14-5-4-6-16(20)19(14)22-18/h4-10,12H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine?
8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine has a molecular weight of 326.83 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine is sourced from PubChem (CID 146299498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).