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

C23H18ClN5O2 — CID 137430723

IUPAC[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol
SMILESCc1ccc(-c2nc(N)c(C(O)n3cccc3)nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C23H18ClN5O2/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/h2-12,23,30H,1H3,(H2,25,28)
InChIKeyFKWYFIQHQQSQKY-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.84
Rot. Bonds4

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

[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol (PubChem CID 137430723) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol.

Molecular Properties

Compound Name[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol
PubChem CID137430723
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol
SMILESCc1ccc(-c2nc(N)c(C(O)n3cccc3)nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C23H18ClN5O2/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/h2-12,23,30H,1H3,(H2,25,28)
InChIKeyFKWYFIQHQQSQKY-UHFFFAOYSA-N
XLogP4.84
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.84
H-Bond Donors ≤ 52
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-ylmethanol?
The IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol (CID 137430723) is [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol.
What is the SMILES notation for [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol?
The canonical SMILES for [3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol 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-ylmethanol?
The InChIKey is FKWYFIQHQQSQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/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/h2-12,23,30H,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-ylmethanol?
[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanol has a molecular weight of 431.88 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 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-ylmethanol is sourced from PubChem (CID 137430723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).