[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone

C23H16ClN5O2 — CID 149015846

IUPAC[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone
SMILESCc1ccc(-c2nc(N)c(C(=O)n3cccc3)nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C23H16ClN5O2/c1-13-6-7-17(31-13)20-19(15-11-14-5-4-8-26-18(14)16(24)12-15)27-21(22(25)28-20)23(30)29-9-2-3-10-29/h2-12H,1H3,(H2,25,28)
InChIKeyQCNDTDQMIJUOPX-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.99
Rot. Bonds3

About [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone

[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone (PubChem CID 149015846) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone
PubChem CID149015846
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC Name[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone
SMILESCc1ccc(-c2nc(N)c(C(=O)n3cccc3)nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C23H16ClN5O2/c1-13-6-7-17(31-13)20-19(15-11-14-5-4-8-26-18(14)16(24)12-15)27-21(22(25)28-20)23(30)29-9-2-3-10-29/h2-12H,1H3,(H2,25,28)
InChIKeyQCNDTDQMIJUOPX-UHFFFAOYSA-N
XLogP4.99
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone?
The IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone (CID 149015846) is [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone.
What is the SMILES notation for [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone?
The canonical SMILES for [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone is Cc1ccc(-c2nc(N)c(C(=O)n3cccc3)nc2-c2cc(Cl)c3ncccc3c2)o1.
What is the InChIKey of [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone?
The InChIKey is QCNDTDQMIJUOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c1-13-6-7-17(31-13)20-19(15-11-14-5-4-8-26-18(14)16(24)12-15)27-21(22(25)28-20)23(30)29-9-2-3-10-29/h2-12H,1H3,(H2,25,28).
What are the key properties of [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone?
[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone has a molecular weight of 429.87 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone is sourced from PubChem (CID 149015846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).