7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine

C17H15ClN2O — CID 711950

IUPAC7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine
SMILESCCOc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H15ClN2O/c1-2-21-14-6-4-13(5-7-14)20-16-9-10-19-17-11-12(18)3-8-15(16)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyRDBXCICTXSDJIF-UHFFFAOYSA-N
MW298.77 g/mol
LogP5.03
Rot. Bonds4

About 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine

7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine (PubChem CID 711950) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine
PubChem CID711950
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine
SMILESCCOc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H15ClN2O/c1-2-21-14-6-4-13(5-7-14)20-16-9-10-19-17-11-12(18)3-8-15(16)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyRDBXCICTXSDJIF-UHFFFAOYSA-N
XLogP5.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.77
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine (CID 711950) is 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine is CCOc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine?
The InChIKey is RDBXCICTXSDJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-2-21-14-6-4-13(5-7-14)20-16-9-10-19-17-11-12(18)3-8-15(16)17/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine?
7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine has a molecular weight of 298.77 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 711950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).