6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine

C16H14ClN3 — CID 138556722

IUPAC6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine
SMILESCCc1ccnc(Nc2ccc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C16H14ClN3/c1-2-11-7-8-18-16(9-11)20-15-6-3-12-10-13(17)4-5-14(12)19-15/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyHEPQBNFFBOOMEG-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.59
Rot. Bonds3

About 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine

6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine (PubChem CID 138556722) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine
PubChem CID138556722
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine
SMILESCCc1ccnc(Nc2ccc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C16H14ClN3/c1-2-11-7-8-18-16(9-11)20-15-6-3-12-10-13(17)4-5-14(12)19-15/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyHEPQBNFFBOOMEG-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine?
The IUPAC name of 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine (CID 138556722) is 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine?
The canonical SMILES for 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine is CCc1ccnc(Nc2ccc3cc(Cl)ccc3n2)c1.
What is the InChIKey of 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine?
The InChIKey is HEPQBNFFBOOMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-2-11-7-8-18-16(9-11)20-15-6-3-12-10-13(17)4-5-14(12)19-15/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine?
6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine is sourced from PubChem (CID 138556722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).