N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine

C15H13ClN4 — CID 89011070

IUPACN-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine
SMILESCCc1ncc(Nc2ccc3cccnc3c2)nc1Cl
InChIInChI=1S/C15H13ClN4/c1-2-12-15(16)20-14(9-18-12)19-11-6-5-10-4-3-7-17-13(10)8-11/h3-9H,2H2,1H3,(H,19,20)
InChIKeyRCZYYRVTFVQYEP-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.98
Rot. Bonds3

About N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine

N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine (PubChem CID 89011070) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine.

Molecular Properties

Compound NameN-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine
PubChem CID89011070
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC NameN-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine
SMILESCCc1ncc(Nc2ccc3cccnc3c2)nc1Cl
InChIInChI=1S/C15H13ClN4/c1-2-12-15(16)20-14(9-18-12)19-11-6-5-10-4-3-7-17-13(10)8-11/h3-9H,2H2,1H3,(H,19,20)
InChIKeyRCZYYRVTFVQYEP-UHFFFAOYSA-N
XLogP3.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine?
The IUPAC name of N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine (CID 89011070) is N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine.
What is the SMILES notation for N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine?
The canonical SMILES for N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine is CCc1ncc(Nc2ccc3cccnc3c2)nc1Cl.
What is the InChIKey of N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine?
The InChIKey is RCZYYRVTFVQYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-2-12-15(16)20-14(9-18-12)19-11-6-5-10-4-3-7-17-13(10)8-11/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine?
N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine has a molecular weight of 284.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-ethylpyrazin-2-yl)quinolin-7-amine is sourced from PubChem (CID 89011070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).