5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine

C22H17ClN4O — CID 137430097

IUPAC5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OC1CC1
InChIInChI=1S/C22H17ClN4O/c23-17-12-15(11-14-7-4-10-25-18(14)17)20-19(13-5-2-1-3-6-13)26-21(24)22(27-20)28-16-8-9-16/h1-7,10-12,16H,8-9H2,(H2,24,26)
InChIKeyVVSDGKPYKNYFQI-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.14
Rot. Bonds4

About 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine (PubChem CID 137430097) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine
PubChem CID137430097
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OC1CC1
InChIInChI=1S/C22H17ClN4O/c23-17-12-15(11-14-7-4-10-25-18(14)17)20-19(13-5-2-1-3-6-13)26-21(24)22(27-20)28-16-8-9-16/h1-7,10-12,16H,8-9H2,(H2,24,26)
InChIKeyVVSDGKPYKNYFQI-UHFFFAOYSA-N
XLogP5.14
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine (CID 137430097) is 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OC1CC1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine?
The InChIKey is VVSDGKPYKNYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-17-12-15(11-14-7-4-10-25-18(14)17)20-19(13-5-2-1-3-6-13)26-21(24)22(27-20)28-16-8-9-16/h1-7,10-12,16H,8-9H2,(H2,24,26).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine has a molecular weight of 388.86 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).