5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine

C29H24ClN5O2 — CID 154657837

IUPAC5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(COC2CC2)n1
InChIInChI=1S/C29H24ClN5O2/c30-24-15-20(14-19-8-5-13-32-25(19)24)27-26(18-6-2-1-3-7-18)34-28(31)29(35-27)37-17-22-10-4-9-21(33-22)16-36-23-11-12-23/h1-10,13-15,23H,11-12,16-17H2,(H2,31,34)
InChIKeyQDWPGVZNYFSFQT-UHFFFAOYSA-N
MW510.00 g/mol
LogP6.25
Rot. Bonds8

About 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine (PubChem CID 154657837) has the molecular formula C29H24ClN5O2 and a molecular weight of 510.00 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
PubChem CID154657837
Molecular FormulaC29H24ClN5O2
Molecular Weight510.00 g/mol
Exact Mass509.16
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(COC2CC2)n1
InChIInChI=1S/C29H24ClN5O2/c30-24-15-20(14-19-8-5-13-32-25(19)24)27-26(18-6-2-1-3-7-18)34-28(31)29(35-27)37-17-22-10-4-9-21(33-22)16-36-23-11-12-23/h1-10,13-15,23H,11-12,16-17H2,(H2,31,34)
InChIKeyQDWPGVZNYFSFQT-UHFFFAOYSA-N
XLogP6.25
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine 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 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine (CID 154657837) is 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(COC2CC2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine?
The InChIKey is QDWPGVZNYFSFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN5O2/c30-24-15-20(14-19-8-5-13-32-25(19)24)27-26(18-6-2-1-3-7-18)34-28(31)29(35-27)37-17-22-10-4-9-21(33-22)16-36-23-11-12-23/h1-10,13-15,23H,11-12,16-17H2,(H2,31,34).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine has a molecular weight of 510.00 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 154657837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).