[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone

C24H20ClN5O2 — CID 137430801

IUPAC[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1COCCN1
InChIInChI=1S/C24H20ClN5O2/c25-17-12-16(11-15-7-4-8-28-19(15)17)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)18-13-32-10-9-27-18/h1-8,11-12,18,27H,9-10,13H2,(H2,26,30)
InChIKeyLQWKAUWWIHDZPF-UHFFFAOYSA-N
MW445.91 g/mol
LogP3.77
Rot. Bonds4

About [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone

[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone (PubChem CID 137430801) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone
PubChem CID137430801
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1COCCN1
InChIInChI=1S/C24H20ClN5O2/c25-17-12-16(11-15-7-4-8-28-19(15)17)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)18-13-32-10-9-27-18/h1-8,11-12,18,27H,9-10,13H2,(H2,26,30)
InChIKeyLQWKAUWWIHDZPF-UHFFFAOYSA-N
XLogP3.77
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone?
The IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone (CID 137430801) is [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1COCCN1.
What is the InChIKey of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone?
The InChIKey is LQWKAUWWIHDZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c25-17-12-16(11-15-7-4-8-28-19(15)17)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)18-13-32-10-9-27-18/h1-8,11-12,18,27H,9-10,13H2,(H2,26,30).
What are the key properties of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone?
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone has a molecular weight of 445.91 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 137430801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).