2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol

C30H27ClN8O — CID 154657915

IUPAC2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C/N=C/C(=N\N)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C30H27ClN8O/c1-30(2,40)24-12-6-11-21(36-24)16-34-17-23(39-33)28-29(32)38-26(18-8-4-3-5-9-18)27(37-28)20-14-19-10-7-13-35-25(19)22(31)15-20/h3-15,17,40H,16,33H2,1-2H3,(H2,32,38)/b34-17+,39-23+
InChIKeySYTGPTLSQLNQED-USIKHMSVSA-N
MW551.05 g/mol
LogP5.15
Rot. Bonds7

About 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol

2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 154657915) has the molecular formula C30H27ClN8O and a molecular weight of 551.05 g/mol. Its IUPAC name is 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol
PubChem CID154657915
Molecular FormulaC30H27ClN8O
Molecular Weight551.05 g/mol
Exact Mass550.20
IUPAC Name2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C/N=C/C(=N\N)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C30H27ClN8O/c1-30(2,40)24-12-6-11-21(36-24)16-34-17-23(39-33)28-29(32)38-26(18-8-4-3-5-9-18)27(37-28)20-14-19-10-7-13-35-25(19)22(31)15-20/h3-15,17,40H,16,33H2,1-2H3,(H2,32,38)/b34-17+,39-23+
InChIKeySYTGPTLSQLNQED-USIKHMSVSA-N
XLogP5.15
TPSA148.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.05
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2H-imidazol-2-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164738512
2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol
CID 154658320
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
2-[6-[[4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]methyl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 155003021
3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658067
5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
CID 137431684
2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol
CID 154658300
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430477
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137430557
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431575

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol (CID 154657915) is 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(C/N=C/C(=N\N)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1.
What is the InChIKey of 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is SYTGPTLSQLNQED-USIKHMSVSA-N. The full InChI is InChI=1S/C30H27ClN8O/c1-30(2,40)24-12-6-11-21(36-24)16-34-17-23(39-33)28-29(32)38-26(18-8-4-3-5-9-18)27(37-28)20-14-19-10-7-13-35-25(19)22(31)15-20/h3-15,17,40H,16,33H2,1-2H3,(H2,32,38)/b34-17+,39-23+.
What are the key properties of 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 551.05 g/mol, XLogP of 5.15, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 154657915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).