1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol

C29H24ClN5O2 — CID 154657847

IUPAC1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(C2(O)CCC2)n1
InChIInChI=1S/C29H24ClN5O2/c30-22-16-20(15-19-9-5-14-32-24(19)22)26-25(18-7-2-1-3-8-18)34-27(31)28(35-26)37-17-21-10-4-11-23(33-21)29(36)12-6-13-29/h1-5,7-11,14-16,36H,6,12-13,17H2,(H2,31,34)
InChIKeyYHUCMORNZFWFMU-UHFFFAOYSA-N
MW510.00 g/mol
LogP5.94
Rot. Bonds6

About 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol

1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol (PubChem CID 154657847) has the molecular formula C29H24ClN5O2 and a molecular weight of 510.00 g/mol. Its IUPAC name is 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol
PubChem CID154657847
Molecular FormulaC29H24ClN5O2
Molecular Weight510.00 g/mol
Exact Mass509.16
IUPAC Name1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(C2(O)CCC2)n1
InChIInChI=1S/C29H24ClN5O2/c30-22-16-20(15-19-9-5-14-32-24(19)22)26-25(18-7-2-1-3-8-18)34-27(31)28(35-26)37-17-21-10-4-11-23(33-21)29(36)12-6-13-29/h1-5,7-11,14-16,36H,6,12-13,17H2,(H2,31,34)
InChIKeyYHUCMORNZFWFMU-UHFFFAOYSA-N
XLogP5.94
TPSA107.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol (CID 154657847) is 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(C2(O)CCC2)n1.
What is the InChIKey of 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is YHUCMORNZFWFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN5O2/c30-22-16-20(15-19-9-5-14-32-24(19)22)26-25(18-7-2-1-3-8-18)34-27(31)28(35-26)37-17-21-10-4-11-23(33-21)29(36)12-6-13-29/h1-5,7-11,14-16,36H,6,12-13,17H2,(H2,31,34).
What are the key properties of 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol?
1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 510.00 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 154657847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).