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

C28H22ClN5O — CID 154658134

IUPAC5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(C2CC2)n1
InChIInChI=1S/C28H22ClN5O/c29-22-15-20(14-19-8-5-13-31-24(19)22)26-25(18-6-2-1-3-7-18)33-27(30)28(34-26)35-16-21-9-4-10-23(32-21)17-11-12-17/h1-10,13-15,17H,11-12,16H2,(H2,30,33)
InChIKeyAVJDVAUBCNUHPD-UHFFFAOYSA-N
MW479.97 g/mol
LogP6.45
Rot. Bonds6

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

5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine (PubChem CID 154658134) has the molecular formula C28H22ClN5O and a molecular weight of 479.97 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine
PubChem CID154658134
Molecular FormulaC28H22ClN5O
Molecular Weight479.97 g/mol
Exact Mass479.15
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(C2CC2)n1
InChIInChI=1S/C28H22ClN5O/c29-22-15-20(14-19-8-5-13-31-24(19)22)26-25(18-6-2-1-3-7-18)33-27(30)28(34-26)35-16-21-9-4-10-23(32-21)17-11-12-17/h1-10,13-15,17H,11-12,16H2,(H2,30,33)
InChIKeyAVJDVAUBCNUHPD-UHFFFAOYSA-N
XLogP6.45
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.97
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine (CID 154658134) is 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccc(C2CC2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine?
The InChIKey is AVJDVAUBCNUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN5O/c29-22-15-20(14-19-8-5-13-31-24(19)22)26-25(18-6-2-1-3-7-18)33-27(30)28(34-26)35-16-21-9-4-10-23(32-21)17-11-12-17/h1-10,13-15,17H,11-12,16H2,(H2,30,33).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine has a molecular weight of 479.97 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 154658134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).