5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine

C19H15ClN6O — CID 123162116

IUPAC5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(Oc2cncc(Cl)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C19H15ClN6O/c20-14-7-15(10-22-9-14)27-17-11-24-18(21)19(26-17)25-8-12-3-4-16-13(6-12)2-1-5-23-16/h1-7,9-11H,8H2,(H2,21,24)(H,25,26)
InChIKeyCJBYNIWPXUTLQS-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.06
Rot. Bonds5

About 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine

5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine (PubChem CID 123162116) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
PubChem CID123162116
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(Oc2cncc(Cl)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C19H15ClN6O/c20-14-7-15(10-22-9-14)27-17-11-24-18(21)19(26-17)25-8-12-3-4-16-13(6-12)2-1-5-23-16/h1-7,9-11H,8H2,(H2,21,24)(H,25,26)
InChIKeyCJBYNIWPXUTLQS-UHFFFAOYSA-N
XLogP4.06
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine (CID 123162116) is 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine is Nc1ncc(Oc2cncc(Cl)c2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is CJBYNIWPXUTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c20-14-7-15(10-22-9-14)27-17-11-24-18(21)19(26-17)25-8-12-3-4-16-13(6-12)2-1-5-23-16/h1-7,9-11H,8H2,(H2,21,24)(H,25,26).
What are the key properties of 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine?
5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 378.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-pyridinyl)oxy]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 123162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).