pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate

C25H23N5O2 — CID 130220938

IUPACpyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
SMILESCc1cc(N2CCC(c3ccccc3)C2)c2cc(NC(=O)Oc3cnccn3)ccc2n1
InChIInChI=1S/C25H23N5O2/c1-17-13-23(30-12-9-19(16-30)18-5-3-2-4-6-18)21-14-20(7-8-22(21)28-17)29-25(31)32-24-15-26-10-11-27-24/h2-8,10-11,13-15,19H,9,12,16H2,1H3,(H,29,31)
InChIKeyIQXKTBMBIFYXRZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.94
Rot. Bonds4

About pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate

pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate (PubChem CID 130220938) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate.

Molecular Properties

Compound Namepyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
PubChem CID130220938
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Namepyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
SMILESCc1cc(N2CCC(c3ccccc3)C2)c2cc(NC(=O)Oc3cnccn3)ccc2n1
InChIInChI=1S/C25H23N5O2/c1-17-13-23(30-12-9-19(16-30)18-5-3-2-4-6-18)21-14-20(7-8-22(21)28-17)29-25(31)32-24-15-26-10-11-27-24/h2-8,10-11,13-15,19H,9,12,16H2,1H3,(H,29,31)
InChIKeyIQXKTBMBIFYXRZ-UHFFFAOYSA-N
XLogP4.94
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate?
The IUPAC name of pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate (CID 130220938) is pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate.
What is the SMILES notation for pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate?
The canonical SMILES for pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate is Cc1cc(N2CCC(c3ccccc3)C2)c2cc(NC(=O)Oc3cnccn3)ccc2n1.
What is the InChIKey of pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate?
The InChIKey is IQXKTBMBIFYXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-13-23(30-12-9-19(16-30)18-5-3-2-4-6-18)21-14-20(7-8-22(21)28-17)29-25(31)32-24-15-26-10-11-27-24/h2-8,10-11,13-15,19H,9,12,16H2,1H3,(H,29,31).
What are the key properties of pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate?
pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate has a molecular weight of 425.49 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate is sourced from PubChem (CID 130220938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).