pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate

C25H16ClN5O2 — CID 137430557

IUPACpyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)Oc1cccnc1
InChIInChI=1S/C25H16ClN5O2/c26-19-13-17(12-16-8-4-11-29-20(16)19)22-21(15-6-2-1-3-7-15)31-24(27)23(30-22)25(32)33-18-9-5-10-28-14-18/h1-14H,(H2,27,31)
InChIKeyWBWKGNJBSJUEKC-UHFFFAOYSA-N
MW453.89 g/mol
LogP5.21
Rot. Bonds4

About pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate

pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate (PubChem CID 137430557) has the molecular formula C25H16ClN5O2 and a molecular weight of 453.89 g/mol. Its IUPAC name is pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
PubChem CID137430557
Molecular FormulaC25H16ClN5O2
Molecular Weight453.89 g/mol
Exact Mass453.10
IUPAC Namepyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)Oc1cccnc1
InChIInChI=1S/C25H16ClN5O2/c26-19-13-17(12-16-8-4-11-29-20(16)19)22-21(15-6-2-1-3-7-15)31-24(27)23(30-22)25(32)33-18-9-5-10-28-14-18/h1-14H,(H2,27,31)
InChIKeyWBWKGNJBSJUEKC-UHFFFAOYSA-N
XLogP5.21
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.89
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431575
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
CID 137431844
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430996
ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
CID 137431698
(1-methyl-2-oxopyrrolidin-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431578
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone
CID 137430801
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430477

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The IUPAC name of pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate (CID 137430557) is pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate.
What is the SMILES notation for pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The canonical SMILES for pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The InChIKey is WBWKGNJBSJUEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN5O2/c26-19-13-17(12-16-8-4-11-29-20(16)19)22-21(15-6-2-1-3-7-15)31-24(27)23(30-22)25(32)33-18-9-5-10-28-14-18/h1-14H,(H2,27,31).
What are the key properties of pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate has a molecular weight of 453.89 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 137430557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).