8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine

C22H13ClFN5 — CID 154608558

IUPAC8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)c2nccnc12
InChIInChI=1S/C22H13ClFN5/c23-16-11-14(10-13-2-1-7-26-18(13)16)17-19(12-3-5-15(24)6-4-12)29-22(25)21-20(17)27-8-9-28-21/h1-11H,(H2,25,29)
InChIKeyUUQSYTXRSJMOFW-UHFFFAOYSA-N
MW401.83 g/mol
LogP5.28
Rot. Bonds2

About 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine

8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 154608558) has the molecular formula C22H13ClFN5 and a molecular weight of 401.83 g/mol. Its IUPAC name is 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID154608558
Molecular FormulaC22H13ClFN5
Molecular Weight401.83 g/mol
Exact Mass401.08
IUPAC Name8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)c2nccnc12
InChIInChI=1S/C22H13ClFN5/c23-16-11-14(10-13-2-1-7-26-18(13)16)17-19(12-3-5-15(24)6-4-12)29-22(25)21-20(17)27-8-9-28-21/h1-11H,(H2,25,29)
InChIKeyUUQSYTXRSJMOFW-UHFFFAOYSA-N
XLogP5.28
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.83
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine (CID 154608558) is 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine is Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)c2nccnc12.
What is the InChIKey of 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is UUQSYTXRSJMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN5/c23-16-11-14(10-13-2-1-7-26-18(13)16)17-19(12-3-5-15(24)6-4-12)29-22(25)21-20(17)27-8-9-28-21/h1-11H,(H2,25,29).
What are the key properties of 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine?
8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 401.83 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 154608558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).